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
24,635Navigate 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
102,621Explore 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)
19,694Find 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 —to build screening and validation sets.
By Disease (DOID)
8,779Shop 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.
Products
- K-Ras-IN-1CAS: 84783-01-7 Formula: C11H13NOS Molecular Weight: 207.2910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: K426215View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione
- SMILES
- C1CCN(C1)C(=S)C2=CC=CC=C2O
- InChIKey
- QIKLOVZAPGSYNO-UHFFFAOYSA-N
- InChI
- 1S/C11H13NOS/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2
- Synonyms
- MDK-3017Methanethione,(2-hydroxyphenyl)-1-pyrrolidinyl-
- KN-92 phosphateCAS: 1135280-28-2 Formula: C24H25ClN2O3S.H3PO4 Molecular Weight: 554.98● In Stock — US warehouse, ships to EU* Item #: K413490View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-4-methoxybenzenesulfonamide;phosphoric acid
- SMILES
- CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)OC.OP(=O)(O)O
- InChIKey
- XRQHWVVDNMJDEQ-IPZCTEOASA-N
- InChI
- show more
- Synonyms
- KN92-H3PO4 | s6507 | (E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-4-methoxybenzenesulfonamide pho...
- KN-93 (water soluble)CAS: 1188890-41-6 Formula: C26H29ClN2O4S.H3PO4 Molecular Weight: 599.0310mM in DMSO● In Stock — US warehouse, ships to EU* Item #: K420835View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide;phosphoric acid
- SMILES
- CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC.OP(=O)(O)O
- InChIKey
- NNKJTPOXLIILMB-IPZCTEOASA-N
- InChI
- show more
- Synonyms
- 1188890-41-6 | s7423 | KN 93 phosphate | KN-93 phosphate (water soluble) | F20700 | HB0360 | EX-A2086 | N-[2-[[[3-(4-...
- KPT-185CAS: 1333151-73-7 Formula: C16H16F3N3O3 Molecular Weight: 355.3110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: K421259View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- propan-2-yl (Z)-3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
- SMILES
- CC(C)OC(=O)C=CN1C=NC(=N1)C2=CC(=CC(=C2)OC)C(F)(F)F
- InChIKey
- NLNGWFLRRRYNIL-PLNGDYQASA-N
- InChI
- 1S/C16H16F3N3O3/c1-10(2)25-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)24-3/h4-10H,1-3H3/b5-4-
- Synonyms
- KPT185; KPT 185;(2Z)-3-[3-[3-Methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-2-Propenoic Acid 1-Methylethyl...
- KPT-276CAS: 1421919-75-6 Formula: C16H10F8N4O Molecular Weight: 426.2610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: K421564View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one
- SMILES
- C1C(CN1C(=O)C=CN2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)(F)F
- InChIKey
- JCHAWRDHMUSLMM-UPHRSURJSA-N
- InChI
- 1S/C16H10F8N4O/c17-14(18)6-27(7-14)12(29)1-2-28-8-25-13(26-28)9-3-10(15(19,20)21)5-11(4-9)16(22,23)24/h1-5,8H,6-7H2/b2-1-
- Synonyms
- 2-Propen-1-one, 3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-1-(3,3-difluoro-1-azetidinyl)-, (2Z)-;(Z...
- KR-32568CAS: 852146-73-7 Formula: C13H12FN3O2 Molecular Weight: 261.25● In Stock — US warehouse, ships to EU* Item #: K336935View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(diaminomethylidene)-5-(5-fluoro-2-methylphenyl)furan-2-carboxamide
- SMILES
- CC1=C(C=C(C=C1)F)C2=CC=C(O2)C(=O)N=C(N)N
- InChIKey
- DTLDHYBZLVASJQ-UHFFFAOYSA-N
- InChI
- 1S/C13H12FN3O2/c1-7-2-3-8(14)6-9(7)10-4-5-11(19-10)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18)
- Synonyms
- N-(Aminoiminomethyl)-5-(5-fluoro-2-methylphenyl)-2-furancarboxamide
- K-Ras(G12C) inhibitor 6CAS: 2060530-16-5 Formula: C17H22Cl2N2O3S Molecular Weight: 405.3410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: K422502View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-4-sulfanylbutanamide
- SMILES
- C1CN(CCC1NC(=O)CCCS)C(=O)COC2=C(C=C(C=C2)Cl)Cl
- InChIKey
- ZPXCEHMKUTXHRZ-UHFFFAOYSA-N
- InChI
- 1S/C17H22Cl2N2O3S/c18-12-3-4-15(14(19)10-12)24-11-17(23)21-7-5-13(6-8-21)20-16(22)2-1-9-25/h3-4,10,13,25H,1-2,5-9,11H2,(H,20,22)
- Synonyms
- JPV55C3PN4 | MDK30165; MDK-30165; MDK 30165 | N-[1-[2-(2,4-Dichlorophenoxy)acetyl]-4-piperidinyl]-4-mercaptobutanamid...
- KDM4D-IN-1● In Stock — US warehouse, ships to EU* Item #: K412683View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile
- SMILES
- CC1=NN2C(=C1C#N)NC(=O)C3=C2N=CC=C3
- InChIKey
- FIRSAIIBSBCBTF-UHFFFAOYSA-N
- InChI
- 1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
- Synonyms
- 4,5-dihydro-2-methyl-5-oxo-Pyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
- KDM4D-IN-110mM in DMSO● In Stock — US warehouse, ships to EU* Item #: K422548View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile
- SMILES
- CC1=NN2C(=C1C#N)NC(=O)C3=C2N=CC=C3
- InChIKey
- FIRSAIIBSBCBTF-UHFFFAOYSA-N
- InChI
- 1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
- Synonyms
- 4,5-dihydro-2-methyl-5-oxo-Pyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
- KNK 437 (Heat Shock Protein Inhibitor I)CAS: 218924-25-5 Formula: C13H11NO4 Molecular Weight: 245.2310mM in DMSO● In Stock — US warehouse, ships to EU* Item #: K422630View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde
- SMILES
- C1CN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C=O
- InChIKey
- LZGGUFLRKIMBDQ-BJMVGYQFSA-N
- InChI
- 1S/C13H11NO4/c15-7-14-4-3-10(13(14)16)5-9-1-2-11-12(6-9)18-8-17-11/h1-2,5-7H,3-4,8H2/b10-5+
- Synonyms
- (3E)-3-(1,3-Benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde | A899531 | KNK437 | 3-((2H-1,3-BENZODIOXOL-...
- Kaempferol-3-O-glucorhamnosideCAS: 40437-72-7 Formula: C27H30O15 Molecular Weight: 594.510mM in Water● In Stock — US warehouse, ships to EU* Item #: K423849View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O
- InChIKey
- OHOBPOYHROOXEI-OVNVQJKQSA-N
- InChI
- show more
- Synonyms
- Kaempferol 3-neohesperidoside4H-1-Benzopyran-4-one,3-[(6-deoxy-O-β-D-glucopyranosyl-α-L-mannopyranosyl)...
- Kaempferol-3-O-glucorhamnosideCAS: 40437-72-7 Formula: C27H30O15 Molecular Weight: 594.5● In Stock — US warehouse, ships to EU* Item #: K413288View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O
- InChIKey
- OHOBPOYHROOXEI-OVNVQJKQSA-N
- InChI
- show more
- Synonyms
- Kaempferol 3-neohesperidoside4H-1-Benzopyran-4-one,3-[(6-deoxy-O-β-D-glucopyranosyl-α-L-mannopyranosyl)...
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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.