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
24,672Navigate 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
102,686Explore 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)
19,733Find 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)
8,799Shop 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
- Nemadipine A◐ .Made to order · 8–12 wks Item #: N275975View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- diethyl 2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- SMILES
- CCOC(=O)C1=C(NC(=C(C1C2=C(C(=C(C(=C2F)F)F)F)F)C(=O)OCC)C)C
- InChIKey
- QABNLWXKUCMDBP-UHFFFAOYSA-N
- InChI
- 1S/C19H18F5NO4/c1-5-28-18(26)9-7(3)25-8(4)10(19(27)29-6-2)11(9)12-13(20)15(22)17(24)16(23)14(12)21/h11,25H,5-6H2,1-4H3
- Synonyms
- Diethyl2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- PD 168077 maleateCAS: 630117-19-0 Formula: C20H22N4O.C4H4O4 Molecular Weight: 450.49● In Stock — US Item #: P286721View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-but-2-enedioic acid;N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
- SMILES
- CC1=CC(=CC=C1)C(=O)NCN2CCN(CC2)C3=CC=CC=C3C#N.C(=CC(=O)O)C(=O)O
- InChIKey
- NAEUGRPISCANHO-BTJKTKAUSA-N
- InChI
- show more
- Synonyms
- N-((4-(2-Cyanophenyl)-1-piperazinyl)methyl)-3-methylbenzamide (2Z)-2-butenedioate (1:1) | HY-21098A | N-(Methyl-4-(2-...
- Reticulol◐ .Made to order · 8–12 wks Item #: R275602View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6,8-dihydroxy-7-methoxy-3-methylisochromen-1-one
- SMILES
- CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)O
- InChIKey
- LREZRXWUEZCZRU-UHFFFAOYSA-N
- InChI
- 1S/C11H10O5/c1-5-3-6-4-7(12)10(15-2)9(13)8(6)11(14)16-5/h3-4,12-13H,1-2H3
- Synonyms
- HB4057 | NSC 294978 | 6,8-Dihydroxy-7-methoxy-3-methylisocoumarin | HY-120241 | K-251-1 | NSC294978 | NSC-294978 | 6,...
- Rubratoxin A◐ .Made to order · 8–12 wks Item #: R275363View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CCCCCCC(C1C(C2=C(CC(CC3=C1C(=O)OC3O)C(C4CC=CC(=O)O4)O)C(=O)OC2=O)O)O
- InChIKey
- XOEFANNJIKAWGX-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 4,8-dihydroxy-10-(hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl)-5-(1-hydroxyheptyl)-4,5,8,9,10,11-hexahydro-1H-cycl...
- Rubrofusarin◐ .Made to order · 8–12 wks Item #: R274638View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5,6-dihydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one
- SMILES
- CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)O)O
- InChIKey
- FPNKCZKRICBAKG-UHFFFAOYSA-N
- InChI
- 1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3
- Synonyms
- Rubrofusarin | 4H-Naphtho[2, 5,6-dihydroxy-8-methoxy-2-methyl- | Amikazol | DTXSID90189171 | E89017 | 2-Aminobenzthia...
- Rugulosin ((+)-Rugulosin)◐ .Made to order · 8–12 wks Item #: R275626View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C(C5C3(C2=O)C6C(C5C47C(=C(C8=C(C7=O)C=C(C=C8O)C)O)C6=O)O)O)O
- InChIKey
- QFDPVUTXKUGISP-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- RUGULOSIN | ACon1_001423 | Rugulosin (-) form | 5H,6H-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-b:5,6-b']dinaph...
- GSK-LSD1 Dihydrochloride◐ .Made to order · 8–12 wks Item #: G302771View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine;dihydrochloride
- SMILES
- C1CNCCC1NC2CC2C3=CC=CC=C3.Cl.Cl
- InChIKey
- PJFZOGMSPBHPNS-WICJZZOFSA-N
- InChI
- 1S/C14H20N2.2ClH/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12;;/h1-5,12-16H,6-10H2;2*1H/t13-,14+;;/m0../s1
- Synonyms
- GSK LSD 1 dihydrochloriderel-N-[(1S,2R)-2-Phenylcyclopropyl]-4-piperidinamine dihydrochloride
- Lithium difluoroacetateCAS: 74956-94-8 Formula: C2HF2LiO2 Molecular Weight: 101.96● In Stock — US Item #: L355087View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- lithium;2,2-difluoroacetate
- SMILES
- [Li+].C(C(=O)[O-])(F)F
- InChIKey
- NMDVDVNJDCUBDD-UHFFFAOYSA-M
- InChI
- 1S/C2H2F2O2.Li/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
- Synonyms
- Acetic acid,2,2-difluoro-, lithium salt (1:1) | lithium;2,2-difluoroacetate | F77941 | lithium 2,2-difluoroacetate | ...
- Bisindolylmaleimide X hydrochloride (Ro 31-8425)CAS: 145317-11-9 Formula: C26H25ClN4O2 Molecular Weight: 460.96◐ .Made to order · 8–12 wks Item #: B275168View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
- SMILES
- CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN.Cl
- InChIKey
- IMBOYWXMTUUYGZ-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- 3-[8-(Aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dionehydrochloride
- GSK 789472 hydrochloride● In Stock — US Item #: G344393View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one;hydrochloride
- SMILES
- C1CCNC(C1)CN2CCN(C2=O)C3=CC=CC=C3.Cl
- InChIKey
- BYJUVPWUMBVSTK-UHFFFAOYSA-N
- InChI
- 1S/C15H21N3O.ClH/c19-15-17(12-13-6-4-5-9-16-13)10-11-18(15)14-7-2-1-3-8-14;/h1-3,7-8,13,16H,4-6,9-12H2;1H
- Synonyms
- 1257326-24-1 | 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one hydrochloride | GSK 789472 hydrochloride | MFCD180...
- NBI 31772CAS: 374620-70-9 Formula: C17H11NO7 Molecular Weight: 341.27● In Stock — US Item #: N287388View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(3,4-dihydroxybenzoyl)-6,7-dihydroxyisoquinoline-3-carboxylic acid
- SMILES
- C1=CC(=C(C=C1C(=O)C2=NC(=CC3=CC(=C(C=C32)O)O)C(=O)O)O)O
- InChIKey
- ZCMFEWUYBFMLIN-UHFFFAOYSA-N
- InChI
- 1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
- Synonyms
- BDBM50106431 | DTXSID80741040 | UNII-7DYH3XNP6H | 1-[(3,4-Dioxocyclohexa-1,5-dien-1-yl)(hydroxy)methylidene]-6,7-dihy...
- Fmoc-21-amino-4,7,10,13,16,19-hexaoxaheneicosanoic acidCAS: 882847-34-9 Formula: C30H41NO10 Molecular Weight: 575.65● In Stock — US Item #: F122101View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O
- InChIKey
- HEGZERUHBVYZPH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Fmoc-21-amino-4,7,10,13,16,19-hexaoxaheneicosanoic | 1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20-hexaoxa-2-azatricosane...
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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.