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
- Caspofungin (MK-0991) Acetate, 1,3-beta-glucan synthase inhibitor10mM in Water● In Stock — US warehouse, ships to EU* Item #: C408660View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- L-743872 | Pneumocandin B0, 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N2-[(10R,12S)-10,12-dimethyl-1-oxotetradecyl]-4-hydrox...
- Cav 2.2 blocker 1CAS: 1567335-29-8 Formula: C25H29ClN2O2 Molecular Weight: 424.9610mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C421875View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole
- SMILES
- CC1(CC(CC(O1)(C)C)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C
- InChIKey
- LDURKOGJFOYENC-UHFFFAOYSA-N
- InChI
- 1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3
- Synonyms
- compound 91H-Pyrazole,5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(tetrahydro-2,2,6,6-tetramethyl-2H-py...
- Cathepsin G InhibitorCAS: 429676-93-7 Formula: C36H33N2O6P Molecular Weight: 620.63● In Stock — US warehouse, ships to EU* Item #: C275652View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [2-[3-[(1-benzoylpiperidin-4-yl)-methylcarbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
- SMILES
- CN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3C(=O)C(C5=CC=CC6=CC=CC=C65)P(=O)(O)O
- InChIKey
- GNOZQRKYZJSIPZ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- HY-103351 | DTXSID80431393 | SCHEMBL1613660 | BDBM50139754 | [2-[3-[(1-benzoylpiperidin-4-yl)-methylcarbamoyl]naphtha...
- Cediranib Maleate10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: C426384View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-but-2-enedioic acid;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
- SMILES
- CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5.C(=CC(=O)O)C(=O)O
- InChIKey
- JRMGHBVACUJCRP-BTJKTKAUSA-N
- InChI
- show more
- Synonyms
- 4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline (2Z)-but-2-enedioate | 6...
- Ceefourin™ 1CAS: 315702-40-0 Formula: C11H10N4S3 Molecular Weight: 294.42◐ .Made to order · 8–12 wks Item #: C275972View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione
- SMILES
- CN1C(=NNC1=S)CSC2=NC3=CC=CC=C3S2
- InChIKey
- KVNBVHCJAUXKPJ-UHFFFAOYSA-N
- InChI
- 1S/C11H10N4S3/c1-15-9(13-14-10(15)16)6-17-11-12-7-4-2-3-5-8(7)18-11/h2-5H,6H2,1H3,(H,14,16)
- Synonyms
- 5-[(2-Benzothiazolylthio)methyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
- Ceefourin™ 2CAS: 348148-51-6 Formula: C15H9ClF3N3O2 Molecular Weight: 355.7◐ .Made to order · 8–12 wks Item #: C275061View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- SMILES
- CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)O)Cl
- InChIKey
- ZGYIZPUVZOKRHH-UHFFFAOYSA-N
- InChI
- 1S/C15H9ClF3N3O2/c1-7-2-4-8(5-3-7)9-6-10(15(17,18)19)22-13(20-9)11(16)12(21-22)14(23)24/h2-6H,1H3,(H,23,24)
- Synonyms
- 3-Chloro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylicacid
- Cefaclor, Bacterial penicillin-binding protein inhibitor10mM in DMSO◐ .Made to order · 8–12 wks Item #: C425601View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
- SMILES
- C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl.O
- InChIKey
- WKJGTOYAEQDNIA-IOOZKYRYSA-N
- InChI
- show more
- Synonyms
- (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;h...
- Cefaclor monohydrate, Bacterial penicillin-binding protein inhibitorCAS: 70356-03-5 EC Number: 641-991-5 PubChem CID: 51038 Formula: C15H16ClN3O5S Molecular Weight: 385.83● In Stock — US warehouse, ships to EU* Item #: C412704View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
- SMILES
- C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl.O
- InChIKey
- WKJGTOYAEQDNIA-IOOZKYRYSA-N
- InChI
- show more
- Synonyms
- (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;h...
- Cefaclor-d5CAS: 1426173-90-1 Formula: C15H9D5ClN3O4S Molecular Weight: 372.84◐ .Made to order · 8–12 wks Item #: C335967View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6R,7R)-7-[[(2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- SMILES
- C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl
- InChIKey
- QYIYFLOTGYLRGG-IMLLATIOSA-N
- InChI
- show more
- Synonyms
- Ceclor-d5 | Distaclor-d5 | Keflor-d5 | Raniclor-d5
- CefathiamidineCAS: 33075-00-2 Formula: C19H28N4O6S2 Molecular Weight: 472.58● In Stock — US warehouse, ships to EU* Item #: C347480View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (6R,7R)-3-(acetyloxymethyl)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- SMILES
- CC(C)NC(=NC(C)C)SCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O
- InChIKey
- JYXACOFERDBGGQ-RHSMWYFYSA-N
- InChI
- show more
- Synonyms
- D81831 | 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((((((1-methylethyl)amino)((1...
- Cdk2/9 inhibitorCAS: 507487-89-0 Formula: C14H12N6O2S Molecular Weight: 328.35◐ .Made to order · 8–12 wks Item #: C336661View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
- SMILES
- CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]
- InChIKey
- DYTKVFHLKPDNRW-UHFFFAOYSA-N
- InChI
- 1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
- Synonyms
- SCHEMBL1368256 | DYTKVFHLKPDNRW-UHFFFAOYSA-N | H10755 | 4-(2-Amino-4-methyl-5-thiazolyl)-N-(3-nitrophenyl)-2-pyrimidi...
- Cdk4/6 Inhibitor IVCAS: 359886-84-3 Formula: C27H32N6O Molecular Weight: 456.58◐ .Made to order · 8–12 wks Item #: C336771View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[[2-[(1-benzylindol-5-yl)amino]-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
- SMILES
- CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O
- InChIKey
- YVXCDLCJCIDFHE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- CINK4
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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.