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
24,653Navigate 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
2,812PROTAC 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
102,662Explore 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)
19,717Find 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)
8,794Shop 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
- N1-(1-Oxo-2,3-dihydro-1H-inden-5-yl)acetamideSolid ≥97%● In Stock — US warehouse, ships to EU* Item #: N350403View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(1-oxo-2,3-dihydroinden-5-yl)acetamide
- SMILES
- CC(=O)NC1=CC2=C(C=C1)C(=O)CC2
- InChIKey
- GHUPGGYDRVSZSW-UHFFFAOYSA-N
- InChI
- 1S/C11H11NO2/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h3-4,6H,2,5H2,1H3,(H,12,13)
- Synonyms
- AC-9052 | MFCD00099465 | 5-(N-acetylamino)indan-1-one | EU-0005999 | HMS1416P13 | A831765 | N-(1-Oxo-2,3-dihydro-1H-i...
- N2-Acetyl-N-(Triphenylmethyl)-L-AsparagineCAS: 163277-78-9 Formula: C25H24N2O4 Molecular Weight: 416.48● In Stock — US warehouse, ships to EU* Item #: N350175View ProductPricing & Pack Sizes
Technical Identifiers
- SMILES
- CC(=O)N[C@@H](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
- Synonyms
- DTXSID10428599 | (2S)-2-acetamido-4-oxo-4-(tritylamino)butanoic acid | AS-48984 | (S)-2-acetamido-4-oxo-4-(tritylamin...
- RRD-251 hydrochloride● In Stock — US warehouse, ships to EU* Item #: R338914View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2,4-dichlorophenyl)methyl carbamimidothioate;hydrochloride
- SMILES
- C1=CC(=C(C=C1Cl)Cl)CSC(=N)N.Cl
- InChIKey
- COMNQRICZGJVLE-UHFFFAOYSA-N
- InChI
- 1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(7(10)3-6)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
- Synonyms
- 2,4-dichlorobenzyl imidothiocarbamate hydrochloride | (2,4-Dichlorophenyl)carbamimidothioic acid methyl ester hydroch...
- Cytochrome P450 14a-demethylase inhibitor 1ACAS: 1155360-99-8 Formula: C21H22F2N4O Molecular Weight: 384.42● In Stock — US warehouse, ships to EU* Item #: C336096View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[benzyl(prop-2-enyl)amino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
- SMILES
- C=CCN(CC1=CC=CC=C1)CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
- InChIKey
- PNAAGRDZVKSGKR-UHFFFAOYSA-N
- InChI
- 1S/C21H22F2N4O/c1-2-10-26(12-17-6-4-3-5-7-17)13-21(28,14-27-16-24-15-25-27)19-9-8-18(22)11-20(19)23/h2-9,11,15-16,28H,1,10,12-14H2
- PD 151746● In Stock — US warehouse, ships to EU* Item #: P276048View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid
- SMILES
- C1=CC2=C(C=C1F)C(=CN2)C=C(C(=O)O)S
- InChIKey
- HWMQHECFXSVZGN-KMKOMSMNSA-N
- InChI
- 1S/C11H8FNO2S/c12-7-1-2-9-8(4-7)6(5-13-9)3-10(16)11(14)15/h1-5,13,16H,(H,14,15)/b10-3-
- Synonyms
- 3-(5-Fluoro-1H-indol-3-yl)-2-mercapto-2-propenoicacid
- NVP-BAG956CAS: 853910-02-8 Formula: C28H21N5 Molecular Weight: 427.51● In Stock — US warehouse, ships to EU* Item #: N126203View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-methyl-2-[4-[2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
- SMILES
- CC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC=C(C=C4)C(C)(C)C#N)C#CC5=CN=CC=C5
- InChIKey
- GVPAGJWVBUZHNQ-UHFFFAOYSA-N
- InChI
- 1S/C28H21N5/c1-19-32-26-17-31-25-13-8-20(6-7-21-5-4-14-30-16-21)15-24(25)27(26)33(19)23-11-9-22(10-12-23)28(2,3)18-29/h4-5,8-17H,1-3H3
- Synonyms
- EX-A875 | NVP-BAG956(BAG 956) | 2-methyl-2-(4-(2-methyl-8-(pyridin-3-ylethynyl)-1H-imidazo[4,5-c]quinolin-1-yl)phenyl...
- R788 (Fostamatinib) Disodium● In Stock — US warehouse, ships to EU* Item #: R129913View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate
- SMILES
- CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)([O-])[O-])C.[Na+].[Na+]
- InChIKey
- HSYBQXDGYCYSGA-UHFFFAOYSA-L
- InChI
- show more
- Synonyms
- CCG-270264 | R788 disodium (Fostamatinib) | 1025687-58-4 | FosD | R788(Fostamatinib disodium) | 2H-Pyrido(3,2-b)-1,4-...
- NVS-PAK1-1● In Stock — US warehouse, ships to EU* Item #: N275945View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S)-3-[[8-chloro-11-(2,2-difluoroethyl)-3-fluoro-5H-benzo[b][1,4]benzodiazepin-6-ylidene]amino]-N-propan-2-ylpyrrolidine-1-carboxamide
- SMILES
- CC(C)NC(=O)N1CCC(C1)N=C2C3=C(C=CC(=C3)Cl)N(C4=C(N2)C=C(C=C4)F)CC(F)F
- InChIKey
- OINGHOPGNMYCAB-INIZCTEOSA-N
- InChI
- show more
- Synonyms
- (S)-3-(2-Chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-ylamino)-N-isopropylpyrrolidine-1-carb...
- RF 9 TFACAS: 876310-60-0(free) Formula: C26H38N6O3·C2F3O2H Molecular Weight: 596.6● In Stock — US warehouse, ships to EU* Item #: R294916View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (3S,5S,7S,Z)-N-((S,Z)-5-guanidino-1-hydroxy-1-(((S)-1-hydroxy-1-imino-3-phenylpropan-2-yl)imino)pentan-2-yl)adamantan...
- NXY-059CAS: 168021-79-2 Formula: C11H13NNa2O7S2 Molecular Weight: 381.33● In Stock — US warehouse, ships to EU* Item #: N125000View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate
- SMILES
- CC(C)(C)[N+](=CC1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+]
- InChIKey
- XLZOVRYBVCMCGL-BPNVQINPSA-L
- InChI
- 1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2/b12-7-;;
- Synonyms
- CCG-268419 | Disodium,4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate | MFCD09833648 | Nxy 059...
- RK-682Solid ≥95%◐ .Made to order · 8–12 wks Item #: R275023View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-hexadecanoyl-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
- SMILES
- CCCCCCCCCCCCCCCC(=O)C1=C(C(OC1=O)CO)O
- InChIKey
- KZTSLHQKWLYYAC-UHFFFAOYSA-N
- InChI
- 1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h18,22,24H,2-16H2,1H3
- Synonyms
- (R)-3-Hexadecanoyl-5-hydroxymethyltetronic acid | (R)-4-Hydroxy-5-(hydroxymethyl)-3-(1-oxohexadecyl)-2(5H)-furanone |...
- Manumycin A◐ .Made to order · 8–12 wks Item #: M274901View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CCCCC(C)C=C(C)C=C(C)C(=O)NC1=CC(C2C(C1=O)O2)(C=CC=CC=CC(=O)NC3=C(CCC3=O)O)O
- InChIKey
- TWWQHCKLTXDWBD-MVTGTTCWSA-N
- InChI
- show more
- Synonyms
- DTXSID401025744 | Manumycin A | LMFA08020185 | NCGC00163464-01 | NCGC00163464-02 | Ucfi-C | 2,4-DECADIENAMIDE, N-(5-H...
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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.