Explore small molecules, screening libraries, and tool compounds for discovery research. Browse by target, pathway, or ligand family to quickly find inhibitors, agonists, and chemical probes, with searchable structure/CAS data and supporting documents (SDS/COA where available).
By Target / Pathway / Disease
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Ready-to-screen compound libraries and focused sets for hit discovery. Browse libraries by target class, pathway, scaffold, or application, and review size, format, and compound information to build screening panels.Customize Your Screening Library to choose compounds, format, and volume, and we’ll prepare a ready-to-use set for you.Customize Your Screening Library
Ligand families
24,672Navigate small molecules by ligand family or scaffold to build focused sets and explore structure–activity relationships. This category groups related chemotypes, helping you select analogs, fragments, and tool molecules for discovery research.
ADC-focused building blocks and tools to support antibody–drug conjugate research. Explore payloads, linkers, conjugation reagents, and related small-molecule components (where available) for designing and evaluating ADC constructs.
PROTAC
2,814PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks (where available) to assemble or screen PROTAC designs, with clear identifiers for efficient selection.
By Signaling Pathways
102,686Explore pathway-focused tool compounds to study and modulate key signaling cascades. Browse small molecules grouped by signaling pathway to support mechanism studies, phenotypic assays, and target validation, with clear identifiers for fast searching.
By Target (DTO)
19,733Find bioactive small molecules organized by protein target (DTO). Quickly locate tool compounds for specific targets and compare identifiers such as structure, CAS, and synonyms—plus supporting documents (where available)—to build screening and validation sets.
By Disease (DOID)
8,799Shop small molecules and tool compounds organized by disease area (DOID). Discover chemical probes, libraries, and related products mapped to therapeutic areas to help assemble compound sets for screening, pathway exploration, and model studies.
Popular Products
- GR 46611● In Stock — US Item #: G274929View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
- SMILES
- CN(C)CCC1=CNC2=C1C=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)OC
- InChIKey
- LBVZWEWTNUDWNS-YRNVUSSQSA-N
- InChI
- 1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+
- Synonyms
- 3-[3-(2-Dimethylaminoethyl)-1H-indol-5-yl]-N-(4-methoxybenzyl)acrylamide | Lopac0_000069 | NCGC00024831-03 | GR 4661 ...
- PF-05089771 (tosylate)Solid ≥98%(HPLC)● In Stock — US Item #: P287496View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide;4-methylbenzenesulfonic acid
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)C2=C(NN=C2)N)OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=CSC=N4)F
- InChIKey
- NVKBPDYKPNYMDR-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 1430806-04-4 | SCHEMBL14880153 | AKOS027470316 | NVKBPDYKPNYMDR-UHFFFAOYSA-N | UNII-NG8E748OWS | 4-[2-(5-amino-1H-pyr...
- GR 103691CAS: 162408-66-4 Formula: C30H35N3O3 Molecular Weight: 485.62● In Stock — US Item #: G344395View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
- SMILES
- CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC
- InChIKey
- JARNORYOPMINDY-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- SR-01000597384 | 4'-Acetyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-[1,1'-biphenyl]-4-carboxamide | Biomol-NT_0...
- GR 125487 sulfamateCAS: 859502-43-5 Formula: C19H26FN3O5S•H2NSO3H Molecular Weight: 524.58◐ .Made to order · 8–12 wks Item #: G288098View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate;sulfamic acid
- SMILES
- COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C.NS(=O)(=O)O
- InChIKey
- VQJFDBXITIOGJM-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 5-Fluoro-2-methoxy-[1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]-1H-indole-3-methylcarboxylate sulfamate
- GSK 1562590 hydrochloride◐ .Made to order · 8–12 wks Item #: G287869View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[4-[(1R)-1-[[2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenyl]benzamide;hydrochloride
- SMILES
- CN(C(CN1CCCC1)C2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)N)C(=O)CN4C(=O)COC5=CC(=C(C=C54)Cl)Cl.Cl
- InChIKey
- XTVXEMMIPYMBLL-SNYZSRNZSA-N
- InChI
- show more
- Synonyms
- N-[(1R)-1-[3'-(Aminocarbonyl)[1,1'-biphenyl]-4-yl]-2-(1-pyrrolidinyl)ethyl]-6,7-dichloro-2,3-dihydro-N-methyl-3-oxo-4...
- GR 144053 trihydrochloride● In Stock — US Item #: G288867View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid;trihydrochloride
- SMILES
- C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)CC(=O)O.Cl.Cl.Cl
- InChIKey
- YKRNPHOBDOUQTG-UHFFFAOYSA-N
- InChI
- 1S/C18H27N5O2.3ClH/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25;;;/h1-4,16H,5-13H2,(H3,19,20)(H,24,25);3*1H
- Synonyms
- 4-[4-[4-(Aminoiminomethyl)phenyl]-1-piperazinyl]-1-piperidineacetic acid trihydrochloride | 2-(4-(4-(4-carbamimidoylp...
- Orteronel, Cytochrome P450 17A1 inhibitorCAS: 566939-85-3 Formula: C18H17N3O2 Molecular Weight: 307.35◐ .Made to order · 8–12 wks Item #: O125565View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
- SMILES
- CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O
- InChIKey
- OZPFIJIOIVJZMN-SFHVURJKSA-N
- InChI
- 1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
- Synonyms
- 6-[(7S)-7-hydroxy-5H,6H,7H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide | 2-NAPHTHALENECARBOXAMIDE,...
- GPBAR-ACAS: 877052-79-4 Formula: C23H15F7N2O2 Molecular Weight: 484.37Solid ≥98%● In Stock — US Item #: G287908View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-fluorophenyl)-5H-pyrido[3,2-f][1,4]oxazepin-3-one
- SMILES
- C1C2=C(C=CN=C2OCC(=O)N1CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4F
- InChIKey
- ZIXNJVGTAXRKAP-UHFFFAOYSA-N
- InChI
- 1S/C23H15F7N2O2/c24-19-4-2-1-3-17(19)16-5-6-31-21-18(16)11-32(20(33)12-34-21)10-13-7-14(22(25,26)27)9-15(8-13)23(28,29)30/h1-9H,10-12H2
- Synonyms
- 4-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-6-(2-fluorophenyl)-4,5-dihydro-pyrido[3,2-f]-1,4-oxazepin-3(2H)-one
- Naloxone HCl, Opioid receptors; mu/kappa/delta antagonist● In Stock — US Item #: N129470View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
- SMILES
- C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl
- InChIKey
- RGPDIGOSVORSAK-STHHAXOLSA-N
- InChI
- show more
- Synonyms
- 4(5)-imidazolecarboxylic acid | 6-methoxy-tetralone | CHEBI:31892 | Morphinan-6-one, 17-allyl-4,5-alpha-epoxy-3,14-di...
- RO-9187◐ .Made to order · 8–12 wks Item #: R127469View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-amino-1-[(2R,3S,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
- InChIKey
- ODLGMSQBFONGNG-XZMZPDFPSA-N
- InChI
- 1S/C9H12N6O5/c10-4-1-2-15(8(19)12-4)7-5(17)6(18)9(3-16,20-7)13-14-11/h1-2,5-7,16-18H,3H2,(H2,10,12,19)/t5-,6-,7+,9+/m0/s1
- Synonyms
- BKB70803 | RO 9187 | 4-amino-1-[(2R,3S,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidi...
- Zirconium silicide≥99.5% metals basis excluding Hf● In Stock — US Item #: Z302607View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- [Si]=[Zr]=[Si]
- InChIKey
- GJIKIPCNQLUSQC-UHFFFAOYSA-N
- InChI
- 1S/2Si.Zr
- Synonyms
- Zirconium disilicide | FT-0694102 | Zirconium silicide, 2-5 micron APS | Zirconium silicide, 5-10 micron APS | MFCD00...
- GNTI dihydrochloride◐ .Made to order · 8–12 wks Item #: G287224View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- OC3=CC=C2CC([C@@]5(O)[C@@]4(CC8)C2=C3O[C@H]4C(NC7=C6C=C(NC=N)C=C7)=C6C5)N8CC1CC1.Cl.Cl
- InChIKey
- GJPIMNXJPMPQHK-CVVXFVLRSA-N
- Synonyms
- 5'-Guanidinyl-17-(cyclopropylmethyl)-6,7-dehydro-4,5α-epoxy-3,14-dihydroxy-6,7-2',3'-indolomorphinan dihydrochloride
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R&D Use Only Products supplied for research and development use
Frequently Asked Questions
What does the By Target/Pathway/Disease listing cover?
It groups compounds associated with targets in By Target/Pathway/Disease, organised so you can move from the pathway to an individual target and then to a specific chemotype. Each entry carries structure, CAS number, and reported activity.
How is By Target/Pathway/Disease organised?
By Target/Pathway/Disease is broken down into Compound Libraries, PROTACs, molecular glues and other degraders and Antibody-drug Conjugates(ADC). Compounds acting on more than one node appear under each relevant target.
How do I choose compounds for By Target/Pathway/Disease research?
For By Target/Pathway/Disease, pick a well-characterised reference compound for the node you want to perturb, and pair it with a structurally unrelated compound hitting the same target — that is the cleanest way to separate pathway effects from off-target ones. Check potency, selectivity, and cell permeability against your assay format. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
How do I find a specific compound within By Target/Pathway/Disease?
Search By Target/Pathway/Disease by compound name, CAS number, or SMILES, or drill down through the target listing. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.