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Diversity libraries

ChemDiv’s diversity sets represent validated drug-like chemistry space of over 13B compounds and 1.6M stock collection.

The libraries have a perfect diversity scoring by Tanimoto similarity threshold, by bias against undesirable structural patterns. Structural enrichment is done with the focus on novel chemistry by Markush fragments. The scaffolds are prioritized by structural complexity, by 3D shape diversity and Fsp3 distribution range. All compounds passed REOS and PAINS filters, have high MCE-18 score, optimized solubility, and «target diversity» approach in biological activity.

The libraries are available as pre-plated sets and as custom-made selections.
Customers are welcome to order in 96- and 384- well formats. Delivery in 2 weeks. 90% purity.
ChemDiv ensures resupply, resynthesis, immediate analogs selection, medchem FTE support for H2L.

Please e-mail us to sb@chemdiv.com or chemdiv@chemdiv.com and we configure the best screening set for your projects and inventory.

Place your order for preplated version of libraries or request for customization and we configure the best screening set for your projects and inventory.

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Product name
39,646 compounds
Targeted Diversity Library is a collection of drug-like compounds that have been focused against various biological targets.
15,500 compounds
Soluble Diversity Library improves drug-like properties and solubility of the screening set. Potential soluble compounds are used for hit discovery.
50,213 compounds
Set of drug-like compounds based on the concept of targeted diversity for hit-finding screens.
50,000 / 100,000 / 150,000 compounds
Representative Diversity Libraries are small-molecule compounds with high diversity scoring. The selection includes compound singletons and clusters.
50,820 compounds
The original descriptor Medicinal Chemistry Evolution-2018 (MCE-18) score drug-like compounds by novelty in terms of their cumulative sp3 complexity.
155,000 compounds
Compounds per cluster – 5-10+ MedChem consistent SAR ready sets Inter cluster similarity < 0.2 (diverse) Intra cluster similarity 0.5-0.85 (reasonably similar)
52,000 compounds
Set of small-molecule compounds with high diversity in terms of potential pharmacophore points.
21,000 compounds
Set of small-molecules with natural product-like scaffold. Clustering due to 3D shape, pharmacophore diversity and high QED values.
34,000 compounds
ChemDiv's 3D Biodiversity Library is bioactive molecules clustered due to their three-dimensional structures and pharmacophore diversity.
207,525 compounds
300k Representative Compounds Library is based on generating Bemis-Murcko scaffolds, filtering and three selections.
100,000 compounds
100k diverse compounds pre-plated set represents our 1.6m stock available screening compounds collection. Available as DMSO solutions frozen at 10mM concentration in 96 and 384 format. Cherry pick by plates.


Custom ChemistryNovel Scaffolds and Discovery LibrariesCustom Building Blocks for DNA Encoded LibrariesScale up SynthesisMacrocycle CompoundsIn silico Drug Design (CADD)PROTACADME, DMPKMedicinal ChemistryDNA Encoded Libraries-CDI-CapabilitiesDiscovery BiologyAssay DevelopmentHigh Throughput Screening (HTS)Animal ModelsToxicology and SafetyChemistry, Manufacturing and ControlsPre-Plated SetRepresentative CompoundsNatural-Product3D-PharmacophoreMCE-18RepresentativeSoluble DiversityTargeted DiversitySmartTMAntiviralGPCR3DPhenotypic ScreeningCNS activityTranscription FactorsDrugs LibraryTarget ActivityTherapeutical DiversityCNSIon ChannelsProteases HumanKinases HumanPhosphatases HumanReceptors HumanOpportunistic PathogensCancerCardiovascularMetabolicImmune systemInfectionsMusculoskeletalDigestive systemRespiratory tractOtorhinolaryngologicNervous systemEyeMaleFemaleHemic and lymphaticCongenitalSkinEndocrineAnimalWoundsKinasesProteasesPhosphatasesNuclear receptorsOthersPPI modulatorsReceptor's ligandsEpigeneticMimeticsCyclic compoundsFragmentsPoolChemical classes AgroAllosteric Inhibitors
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