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
- Urolithin BSolid ≥95%● In Stock — US Item #: H166061View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-hydroxybenzo[c]chromen-6-one
- SMILES
- C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)OC2=O
- InChIKey
- WXUQMTRHPNOXBV-UHFFFAOYSA-N
- InChI
- 1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H
- Synonyms
- 3-hydroxy-6H-benzo[c]chromen-6-one | urolithin B | EN300-186402 | m-Anisic aldehyde | 3-Hydroxy-6H-benzo[c]chromen-6-...
- Ki8751CAS: 228559-41-9 Formula: C24H18F3N3O4 Molecular Weight: 469.41Solid ≥98%● In Stock — US Item #: K125876View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]urea
- SMILES
- COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC(=C(C=C3)NC(=O)NC4=C(C=C(C=C4)F)F)F
- InChIKey
- LFKQSJNCVRGFCC-UHFFFAOYSA-N
- InChI
- 1S/C24H18F3N3O4/c1-32-22-11-15-20(12-23(22)33-2)28-8-7-21(15)34-14-4-6-19(17(27)10-14)30-24(31)29-18-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31)
- Synonyms
- 1-(2,4-difluorophenyl)-3-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl]urea | HMS1787L13 | SB19355 | BRD-K47150...
- VER-50589● In Stock — US Item #: V339234View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
- SMILES
- CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3O)O)Cl
- InChIKey
- JXPCDMPJCKNLBY-UHFFFAOYSA-N
- InChI
- 1S/C19H17ClN2O5/c1-3-21-19(25)17-16(10-4-6-11(26-2)7-5-10)18(27-22-17)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)
- Synonyms
- SCHEMBL2948052 | PD056099 | VER50589 | VER-50589 | 5-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxy-phenyl)-isoxazole-3-...
- VUF 10166Solid ≥99%● In Stock — US Item #: V129763View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline
- SMILES
- CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2Cl
- InChIKey
- FFXVTQDGTKEXHF-UHFFFAOYSA-N
- InChI
- 1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
- Synonyms
- s2865 | NCGC00379152-02 | A906484 | HMS3884N20 | VUF 10166 | 2-Chloro-3-(4-methyl-1-piperazinyl)quinoxaline | CCG-267...
- ABT 724CAS: 70006-24-5 Formula: C17H19N5 Molecular Weight: 293.4● In Stock — US Item #: A330623View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
- SMILES
- C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4
- InChIKey
- FRPJGTNLZNXQEX-UHFFFAOYSA-N
- InChI
- 1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
- Synonyms
- 2-((4-(PYRIDIN-2-YL)PIPERAZIN-1-YL)METHYL)-1H-BENZIMIDAZOLE | 4WV2575JWT | BCP33290 | HMS2888K18 | 1H-Benzimidazole, ...
- L-655,240◐ .Made to order · 8–12 wks Item #: L274985View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindol-2-yl]-2,2-dimethylpropanoic acid
- SMILES
- CC1=C(N(C2=C1C=C(C=C2)F)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)O
- InChIKey
- JLPYLHLUHJOPNL-UHFFFAOYSA-N
- InChI
- 1S/C21H21ClFNO2/c1-13-17-10-16(23)8-9-18(17)24(12-14-4-6-15(22)7-5-14)19(13)11-21(2,3)20(25)26/h4-10H,11-12H2,1-3H3,(H,25,26)
- Synonyms
- HY-108564 | JLPYLHLUHJOPNL-UHFFFAOYSA-N | sodium dihydrogenphosphat | SR-01000075967-1 | Tocris-1698 | Potassium 17-h...
- L 006235CAS: 294623-49-7 Formula: C24H30N6O2S Molecular Weight: 466.6● In Stock — US Item #: L286668View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
- SMILES
- CN1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N
- InChIKey
- FIVYCSWOCXEWSE-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- L235 | Benzamide, N-[1-[[(cyanomethyl)amino]carbonyl]cyclohexyl]-4-[2-(4-methyl-1-piperazinyl)-4-thiazolyl]- | N-[1-[...
- VU 0365114● In Stock — US Item #: V287332View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(4-phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
- SMILES
- C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)OC(F)(F)F)C(=O)C3=O
- InChIKey
- SPBGRXOPAXZSER-UHFFFAOYSA-N
- InChI
- 1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
- Synonyms
- 1-[(1,1'-Biphenyl)-4-ylmethyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione
- Benzyl selenocyanateCAS: 4671-93-6 Formula: C8H7NSe Molecular Weight: 196.11◐ .Made to order · 8–12 wks Item #: B338478View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- benzyl selenocyanate
- SMILES
- C1=CC=C(C=C1)C[Se]C#N
- InChIKey
- WSKWDMOVMQKKQI-UHFFFAOYSA-N
- InChI
- 1S/C8H7NSe/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
- Synonyms
- 1-(selenocyanatomethyl)benzene | NSC 522024 | CCRIS 3084 | Selenocyanic acid, phenylmethyl ester | DTXSID70196924 | 3...
- VU 0360172 hydrochloride● In Stock — US Item #: V286830View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide;hydrochloride
- SMILES
- C1CC(C1)NC(=O)C2=CN=C(C=C2)C#CC3=CC(=CC=C3)F.Cl
- InChIKey
- NBGAPTWZQXSEAA-UHFFFAOYSA-N
- InChI
- 1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17;/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22);1H
- Synonyms
- N-Cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]-3-pyridinecarboxamide hydrochloride | N-cyclobutyl-6-((3-fluorophenyl)ethy...
- Nintedanib esylate, Fibroblast growth factor receptor inhibitorSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%● In Stock — US Item #: N341683View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethanesulfonic acid;methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
- SMILES
- CCS(=O)(=O)O.CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O
- InChIKey
- ZNMRDZZRAFJOKY-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- methyl (3Z)-3-[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}anilino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indo...
- Dimenhydrinate, Histamine H1 receptor antagonistCAS: 523-87-5 EC Number: 208-350-8 PubChem CID: 10660 Formula: C17H21NO · C7H7ClN4O2 Molecular Weight: 469.96● In Stock — US Item #: D135170View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione
- SMILES
- CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
- InChIKey
- NFLLKCVHYJRNRH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- beta-Dimethylaminoethyl benzhydryl ether 1,3-dimethyl-8-chloroxanthine | Dramamine | Spectrum3_000397 | Dromyl | HSDB...
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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.