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
2,814PROTAC 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
102,664Explore 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)
8,793Shop 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
- CK-636Solid ≥98%(HPLC)● In Stock — US Item #: C138844View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
- SMILES
- CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CS3
- InChIKey
- ACAKNPKRLPMONU-UHFFFAOYSA-N
- InChI
- 1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)
- Synonyms
- N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide | N-[2-(2-Methyl-1H-indol-3-yl)ethyl]-2-thiophenecarboxamide | D...
- Idarubicin HCl, DNA topoisomerase II alpha inhibitor● In Stock — US Item #: I129863View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
- SMILES
- CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O.Cl
- InChIKey
- JVHPTYWUBOQMBP-RVFAQHLVSA-N
- InChI
- show more
- Synonyms
- AC-5255 | IDARUBICIN HYDROCHLORIDE (USP MONOGRAPH) | IDARUBICIN HYDROCHLORIDE [VANDF] | MLS000759470 | MLS001401448 |...
- CKI-7 dihydrochlorideCAS: 1177141-67-1 EC Number: 689-633-7 PubChem CID: 16078955 Formula: C11H12ClN3O2S · 2HCl Molecular Weight: 358.67Solid ≥98%(HPLC)● In Stock — US Item #: N134264View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochloride
- SMILES
- C1=CC(=C2C=CN=CC2=C1S(=O)(=O)NCCN)Cl.Cl.Cl
- InChIKey
- JUAVTXYOCISSSL-UHFFFAOYSA-N
- InChI
- 1S/C11H12ClN3O2S.2ClH/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10;;/h1-3,5,7,15H,4,6,13H2;2*1H
- Synonyms
- N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochloride | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONA...
- Imatinib-d8CAS: 1092942-82-9 Formula: C29H23D8N7O Molecular Weight: 501.65● In Stock — US Item #: I341912View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)methyl]benzamide
- SMILES
- CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
- InChIKey
- KTUFNOKKBVMGRW-AZGHYOHESA-N
- InChI
- show more
- Synonyms
- 4-{[4-Methyl(~2~H_8_)piperazin-1-yl]methyl}-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide | D...
- Indibulin, Tubulin inhibitorCAS: 204205-90-3 Formula: C22H16ClN3O2 Molecular Weight: 389.83● In Stock — US Item #: I288011View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
- SMILES
- C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4
- InChIKey
- SOLIIYNRSAWTSQ-UHFFFAOYSA-N
- InChI
- 1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)
- Synonyms
- D 24851 | 2-[1-(4-Chlorobenzyl)-1H-indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide | ZIO 301
- IWP L6CAS: 1427782-89-5 Formula: C25H20N4O2S2 Molecular Weight: 472.58● In Stock — US Item #: I288756View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-phenylpyridin-2-yl)acetamide
- SMILES
- C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)NC4=NC=C(C=C4)C5=CC=CC=C5
- InChIKey
- QESQGTFWEQMCMH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-(5-Phenyl-2-pyridinyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]acetamide | 2-[(4-oxo-...
- Imiloxan hydrochlorideCAS: 81167-22-8 Formula: C14H17ClN2O2 Molecular Weight: 280.75● In Stock — US Item #: I274872View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole;hydrochloride
- SMILES
- CCN1C=CN=C1CC2COC3=CC=CC=C3O2.Cl
- InChIKey
- ANDJPJNFVJXEKX-UHFFFAOYSA-N
- InChI
- 1S/C14H16N2O2.ClH/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11;/h3-8,11H,2,9-10H2,1H3;1H
- Synonyms
- Tox21_500703 | UNII-X72FO6ZLZY | 2-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1-ethyl-1H-imidazolehydrochloride | ...
- CarbinoxamineMaleateSalt, Histamine H1 receptor antagonistCAS: 3505-38-2 EC Number: 222-498-0 PubChem CID: 5282409 Formula: C16H19ClN2O · C4H4O4 Molecular Weight: 406.86● In Stock — US Item #: C136571View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-but-2-enedioic acid;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
- SMILES
- CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O
- InChIKey
- GVNWHCVWDRNXAZ-BTJKTKAUSA-N
- InChI
- 1S/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
- Synonyms
- Clistin (TN) | Ethanamine, 2-((4-chlorophenyl)-2-pyridinylmethoxy)-N,N-dimethyl-,(2Z)-2-butenedioate(1:1) | HMS2097B0...
- Imidapril HClSolid ≥99%● In Stock — US Item #: I129344View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid;hydrochloride
- SMILES
- CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CN(C2=O)C)C(=O)O.Cl
- InChIKey
- LSLQGMMMRMDXHN-GEUPQXMHSA-N
- InChI
- show more
- Synonyms
- 3-((2S)-2-((1S)-N-(1-ETHOXYCARBONYL-3-PHENYLPROPYL)AMINO)-PROPIONYL)-1-METHYL-2-OXOIMIDAZOLIDINE-4-CARBOXYLIC ACID, H...
- 6-Methylheptanoic acidCAS: 929-10-2 Formula: C8H16O2 Molecular Weight: 144.21● In Stock — US Item #: M304994View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-methylheptanoic acid
- SMILES
- CC(C)CCCCC(=O)O
- InChIKey
- OEOIWYCWCDBOPA-UHFFFAOYSA-N
- InChI
- 1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
- Synonyms
- OEOIWYCWCDBOPA-UHFFFAOYSA-N | isooctylic acid | Q27268731 | SY204610 | FT-0621235 | Cekanoic C8 acid | LMFA01020242 |...
- BicyclolCAS: 118159-48-1 Formula: C19H18O9 Molecular Weight: 390.34● In Stock — US Item #: B166247View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
- SMILES
- COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
- InChIKey
- KXMTXZACPVCDMH-UHFFFAOYSA-N
- InChI
- 1S/C19H18O9/c1-22-11-4-9(6-20)13(17-15(11)25-7-27-17)14-10(19(21)24-3)5-12(23-2)16-18(14)28-8-26-16/h4-5,20H,6-8H2,1-3H3
- Synonyms
- 4,4'-Bi-1,3-benzodioxole)-5-carboxylic acid, 5'-(hydroxymethyl)-7,7'-dimethoxy-, methyl ester | 5'-(hydroxymethyl)-7,...
- Influenza Hemagglutinin (HA) Peptide● In Stock — US Item #: I118968View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- show more
- InChIKey
- HVLSXIKZNLPZJJ-TXZCQADKSA-N
- InChI
- show more
- Synonyms
- HA Peptide | HA-tag | hemagglutinin tag | Influenza Hemagglutinin (HA) Peptide | HA tag peptide | Tyr-Pro-Tyr-Asp-Val...
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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.