Chemical Compound Libraries

Bigger is better, but size isn’t everything. The most robust, high-quality small molecule libraries both incorporate compounds with desirable traits and avoid those with problematic characteristics. Are the molecules soluble? Available? Lead-like? Novel?

Screening libraries that have been selected and acquired with these features in mind are at the core of Charles River’s HTS platform, managed by scientists with decades of experience. Combining access to these compound libraries with knowledge gained over thousands of screens, our team of biologists knows exactly how to make the most of your screening campaign.

Meaningful Hits, Faster Development

Our small molecule libraries can enhance the speed and ultimate success of your drug development. Our scientists have curated a compound library collection with significant structural diversity, lead-likeness, and overall solubility profile to ensure that resulting hits are worth investigating. And, with a fully integrated approach to drug library screening and compound design, our team can help you move quickly and seamlessly from hit ID to lead selection, optimization, and beyond.


Distribution of Hits on a Compound Library

Distribution of compound activity across the HTS with each screening run represented by a different color.

Drug library screening can be done across multiple HTS compounds for a comprehensive approach to candidate selection.
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Compound Library Sets for High-Throughput Screening (HTS)

Each library may be screened individually or in combination with other screening libraries, allowing a tailored approach to HTS project requirements and the greatest coverage of chemical space to maximize the chance of finding hits.

Lead-Like Compound Library

  • Premier collection of 153,000 sourced compounds, including 28,000 compounds recently added, and restructured to maintain the diversity profile
  • Structural alert-free and lead-like properties
  • > 95% of this library has calculated properties that favor blood-brain barrier penetration

Natural Product Inspired Library

  • Excellent for chemical diversity
  • Can be a good starting point for de novo discovery; great success seen in oncology therapeutic area
  • Often applied when assessing the modulation of difficult targets such as protein-protein interactions

SoftFocus® Library

  • 45,000 compounds designed towards major target families
  • Knowledge for resupply and hit explosion

Diversity Compound Library

  • 552,000 sourced compounds applicable to a wide range of targets, including the recent addition of 12,000 new compounds

Fragment Library

  • 1,500 high-solubility fragments, including 3D collections
  • Solid material is available for the majority of the members of this library to enable follow-up studies by biophysical methods and crystallography

Compound Library Design

  • Custom-designed screening libraries to suit your requirements and budget

Repurposing Screening Libraries

Have you considered repurposing/annotated screening libraries? With a total of almost 3,500 compounds between the libraries, these libraries can be an integral piece of your HTS strategy. Ask our team how the following libraries might further aid your program.

The Specs Repurposing Library

  • 5,685 compounds
  • A semi-exclusive library inspired by the Drug Repurposing Hub (Broad Institute) Nature Medicine 217, 23, 405
  • Around 25% overlap with Prestwick Chemical Library

Prestwick Chemical Library

  • 1,264 compounds
  • Approved drugs with high chemical and pharmacological diversity

SelleckChem FDA-approved Drug Library

  • 966 compounds
  • Structurally diverse, medicinally active, and cell permeable

Repurposed libraries are a useful tool for Charles River biologists because they contain previously identified compounds with well-defined mechanisms of action. These chemical library databases can help reduce time to market and increase predicted lead-likeness and solubility.

Discuss your options

Frequently Asked Questions (FAQs) About Compound Libraries

  • What is a compound library?

    A compound library is a collection of chemicals that can be used for high-throughput screening and other processes for drug development. The chemical compound characteristics, like structure, purity, and quantity are usually stored chemical library database for later use. The goal of building a small molecule library is to find compounds that might be a viable drug candidate for your program.

  • What compound libraries does Charles River offer?

    Charles River fuels drug discovery by offering numerous options for screening, including small molecule and fragment compound libraries, antibody screening libraries, cell line libraries, and cDNA Libraries. If your program requires a unique approach, we are able to offer custom compound library design.

  • How is a chemical library database repurposed?

    Compound library repurposing, which is also referred to as drug repositioning or re-profiling, is when scientists re investigate the unknown activity of a declined drug candidates that were previously thought to have no activity. Charles River offers three annotated libraries for drug repurposing; the Prestwick Chemical Library, the SelleckChem FDA-approved Drug Library and the Specs Repurposing Library.