HTS Compounds Libraries



Drug Discovery Services

  • Experienced and qualified scientists functioning as project managers or study director
  • Independent quality unit assuring regulatory compliance
  • Methods validated per ICH GLP/GMP guidelines
  • Rigorous sample tracking and handling procedures to prevent mistakes
  • Controlled laboratory environment to prevent a whole new level of success

HTS Compounds Libraries


Compound screening library has become a significant tool for the drug discovery as well as exploration of new indications. It is proved that a well-designed and diverse compound library can provide a most successful and straightforward starting point to find new lead compounds. A compound collection can support multiple function such as scoring for drug-likeliness, addressing intelligently a diversity of chemical space, etc. A robust and high-quality chemical compound library containing small molecules with desirable characteristics helps to reduce screening costs and increase the speed while maintaining a high probability of obtaining valuable hits.

Fig.1 Compound libraries screening.  (Martinez, A.; <em>et al</em>.  2012)

Fig.1 Compound libraries screening. (Martinez, A.; et al. 2012)

Our Capabilities of HTS Compounds Libraries

  • Safety and efficacy: The safety and effectiveness of small molecules in BOC Sciences chemical collection have been demonstrated through extensive literature, patents preclinical and clinical research, and most of them are EMA- or FDA-approved.
  • Medicinality and diversity: In the compound libraries design and screening campaign, we have tested the diversity and high specificity of our chemical collection through various methods including validation of in-house bio-testing or laboratories of external partners.
  • Our teams enhance our research compound collections by adding new substances with different chemotypes, accelerating your drug development program.
  • Customized delivery: We provide screening services tailored to your specific needs and can ship compounds to your requirements in a very short time. Moreover, our teams have accumulated rich professional experience in operation and enable to package each product from 100 sl x 10 mM to 50 mg.
  • We also offer further support including hit clustering and cherry picking.

Diversity Libraries

BOC Sciences offers you a delicate-designed libraries covering a huge amount of compounds from our in-stock collections. Each library enables to be both screened individually and in combination with other screening libraries, which can maximize the chance of finding hits.

Depending upon their scope and design, our compound libraries can be classified as FDA-approved Drug Libraries, Phenotypic Screening Libraries, Natural Product Libraries, Bioactive Compound Libraries, Fragment Libraries, Lead-Like Compound Libraries, Drug-Like Compound Libraries.

FDA-approved Drug Libraries

Our FDA-approved drug libraries comprise more than 200,000 approved compounds that have received FDA admission and have extensive preclinical and clinical studies with desirable biological activity, safety and pharmacokinetic properties. Therefore, FDA-approved drug libraries are of choice to proceed quickly into novel drug discovery plan with already approved drugs.

Phenotypic Screening Libraries

We offer a unique-designed and ever-growing phenotypic screening library of 5000 compounds in total with diverse biological and chemical property. It is applied as a robust method to offer seed scaffolds or starting points with immediate SAR cluster analysis for hit expansion and hit-to-lead exploration in early identification and confirmation of hit compounds. Phenotypic screening libraries have been developed for different target classes, such as kinases, GPCRs, epigenetic targets, proteases, nuclear receptors, ion channels and multiple inhibitors including protein-protein interaction, RNA binding compounds, peptidomimetics, glycomimetics and so on.

Natural Product Libraries

Natural product library is useful for screening small molecules with pharmacologically activity. We have designed it a special screening library containing various synthetic compounds similar to natural products for drug screening which is focused on natural structures along with new bioactivity. Our natural product libraries contain more than 1500 compounds including alkaloids, polyketides, flavonoids, terpenoids, steroids, saccharides, glycosides and other derivatives.

Bioactive Compound Libraries

As one of the main source of small molecule drugs, bioactive compounds have certain biological effects in the body such as acting on specific target proteins, regulating the intracellular signaling pathways,etc. BOC Sciences contains 10000+ small molecular compounds with reported bioactivity and higher hit rates can be obtained in screening our bioactive compound libraries. The bioactive compound libraries are divided into different disease types of compound collections according to the different (potential) indications targeted, such as anti-cancer compound collections, anti-diabetic collections, anti-infective compounds collections, etc.

Fragment Libraries

Fragment-based drug discovery plays an important role in drug development by identifying smaller fragments which bind to different parts of a biological target. Our experts have designed fragment libraries to obtain more fragment-like hits and higher binding efficiency.

Lead-Like Compound Libraries

Lead-like compound libraries at BOC Sciences contain about 90,000 compounds. They enhance target affinity and selectivity by selecting leads with lower molecular weight, lower lipophilicity and fewer hydrogen bonds and acceptors. Lead-like libraries therefore extend potential chemical space for further lead optimization and deliver compounds with acceptable drug-like properties.

Drug Repurposing Libraries

Drug repurposing is an effective strategy to find new indications for existing drugs and owns the advantages of reducing the cost and shortening the research cycle. Drug repurposing collection has been approved a significant tool for drug repurposing and cell induction. Drug repurposing libraries in BOC Sciences contain more than 4500 approved and clinical drugs with well-characterized bioactivities, safety and bioavailability properties. Our teams can help to accelerate your drug discovery program with utilizing drug repurposing libraries screening.

Our Advantages of HTS Compounds Libraries

  1. Our diversity libraries are assembled from BOC Sciences’ ever-growing collections and being synthesized based on novel templates ideas, offering various benefits for high throughput hit finding.
  2. Most compounds that present in the libraries are available for being repurchased for further characterization to meet your specific requirement.
  3. We provide customized synthesis services and our products are suitable for various specifications packaging.
  4. Combining various access to diverse compounds libraries and professional knowledge gained over thousands of screens, our teams are experienced in the operation of screening campaigns.


  1. Martinez, A.; et al. Phenylalanine Hydroxylase Misfolding and Pharmacological Chaperones. Current Topics in Medicinal Chemistry. 2012, 12(22).

※ It should be noted that our service is only used for research.

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