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).
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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
2,812PROTAC 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
102,662Explore 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)
8,794Shop 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
- Nifekalant hydrochloride (MS-551)CAS: 130656-51-8 Formula: C19H28ClN5O5 Molecular Weight: 441.91Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%◐ .Made to order · 8–12 wks Item #: N275668View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
- SMILES
- CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO.Cl
- InChIKey
- YPVGGQKNWAKOPX-UHFFFAOYSA-N
- InChI
- 1S/C19H27N5O5.ClH/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29;/h5-8,14,20,25H,3-4,9-13H2,1-2H3;1H
- Synonyms
- 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride | MS 551
- Ro 6842262◐ .Made to order · 8–12 wks Item #: R287720View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
- SMILES
- CC1=C(N(N=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CC4)C(=O)O)NC(=O)OC(C)C5=CC=CC=C5
- InChIKey
- PXQUHYSYFWQRMF-LJQANCHMSA-N
- InChI
- show more
- Synonyms
- 1-[4'-[4-Methyl-5-[[[(1R)-1-phenylethoxy]carbonylamino]-1H-1,2,3-triazol-1-yl][1,1'-biphenyl]-4-yl]cyclopropanecarbox...
- Ro 90-7501CAS: 293762-45-5 EC Number: 636-707-1 PubChem CID: 824226 Formula: C20H16N6 Molecular Weight: 340.39● In Stock — US warehouse, ships to EU* Item #: R288928View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine
- SMILES
- C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N)N
- InChIKey
- PAGZCEHLFCJSPV-UHFFFAOYSA-N
- InChI
- 1S/C20H16N6/c21-13-4-1-11(2-5-13)19-23-15-7-3-12(9-17(15)25-19)20-24-16-8-6-14(22)10-18(16)26-20/h1-10H,21-22H2,(H,23,25)(H,24,26)
- Synonyms
- [2,5'-Bi-1H-benzimidazol]-5-amine, 2'-(4-aminophenyl)- | Ro 90-7501, >=98% (HPLC) | NCGC00094031-01 | 2'-(4-Aminophen...
- Ropinirole hydrochloride, D2-like dopamine receptor agonistCAS: 91374-20-8 EC Number: 635-615-9 PubChem CID: 68727 Formula: C16H24N2O.HCl Molecular Weight: 296.84● In Stock — US warehouse, ships to EU* Item #: R274791View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride
- SMILES
- CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1.Cl
- InChIKey
- XDXHAEQXIBQUEZ-UHFFFAOYSA-N
- InChI
- 1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H
- Synonyms
- A843815 | Ropinirolhydrochloride | SW199044-2 | EU-0101101 | SCHEMBL40760 | DTXCID00161024 | Ropinirole for peak iden...
- Roquefortine C● In Stock — US warehouse, ships to EU* Item #: R276095View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (1S,4E,7S,9R)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
- SMILES
- CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1NC5=CC=CC=C25
- InChIKey
- SPWSUFUPTSJWNG-JJUKSXGLSA-N
- InChI
- show more
- Synonyms
- DTXSID20891816 | (1S,4E,7S,9R)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7....
- Rosiglitazone HCl● In Stock — US warehouse, ships to EU* Item #: R129769View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
- SMILES
- CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.Cl
- InChIKey
- XRSCTTPDKURIIJ-UHFFFAOYSA-N
- InChI
- 1S/C18H19N3O3S.ClH/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;/h2-9,15H,10-12H2,1H3,(H,20,22,23);1H
- Synonyms
- 5-[[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione hydrochloride | SCHEMBL3375739 | Q2728...
- Nisoxetine hydrochlorideCAS: 57754-86-6 Formula: C17H21NO2.HCl Molecular Weight: 307.82● In Stock — US warehouse, ships to EU* Item #: N275548View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride
- SMILES
- CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2OC.Cl
- InChIKey
- LCEURBZEQJZUPV-UHFFFAOYSA-N
- InChI
- 1S/C17H21NO2.ClH/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2;/h3-11,15,18H,12-13H2,1-2H3;1H
- Synonyms
- AC-36596 | Q27273347 | N-151 | SR-01000075280 | CAS-14929-11-4 | 4-((2-NITROPHENYL)THIO)-2H-OXETE HCL | (+/-)-?-(2-Me...
- Nitrendipine, Gating inhibitor of Ca v1.1;Gating inhibitor of Ca v1.2;Gating inhibitor of Ca v1.3;Gating inhibitor of Ca v1.4;Channel blocker of K Ca3.1Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%● In Stock — US warehouse, ships to EU* Item #: N123276View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- SMILES
- CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C
- InChIKey
- PVHUJELLJLJGLN-UHFFFAOYSA-N
- InChI
- 1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
- Synonyms
- HMS3675I14 | KBio1_001782 | MLS001148149 | 9B627AW319 | BSPBio_000792 | Nitrendipine [USAN:INN:BAN:JAN] | Spectrum2_0...
- S 07662◐ .Made to order · 8–12 wks Item #: S288694View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
- SMILES
- CC1=C(C2=CC=CC=C2O1)CNC(=O)NCC3=CC=CS3
- InChIKey
- UITFWLJMEZPXOF-UHFFFAOYSA-N
- InChI
- 1S/C16H16N2O2S/c1-11-14(13-6-2-3-7-15(13)20-11)10-18-16(19)17-9-12-5-4-8-21-12/h2-8H,9-10H2,1H3,(H2,17,18,19)
- Synonyms
- N-[(2-Methyl-3-benzofuranyl)methyl]-N'-(2-thienylmethyl)urea
- S 14506 hydrochloride● In Stock — US warehouse, ships to EU* Item #: S286849View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
- SMILES
- COC1=CC2=C(C=CC=C2N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)F)C=C1.Cl
- InChIKey
- HWLZKPKZVOLFGK-UHFFFAOYSA-N
- InChI
- 1S/C24H26FN3O2.ClH/c1-30-21-10-7-18-3-2-4-23(22(18)17-21)28-15-13-27(14-16-28)12-11-26-24(29)19-5-8-20(25)9-6-19;/h2-10,17H,11-16H2,1H3,(H,26,29);1H
- Synonyms
- S-14506 (hydrochloride) | 1-((4-Fluorobenzoylamino)ethyl)-4-(7-methoxy-1-naphthyl)piperazine hydrochloride | Mannitol...
- S 24795● In Stock — US warehouse, ships to EU* Item #: S287505View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-(4-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone;iodide
- SMILES
- C[N+]1=CC=CC=C1CC(=O)C2=CC=C(C=C2)Br.[I-]
- InChIKey
- LERUHBBUGAOYOD-UHFFFAOYSA-M
- InChI
- 1S/C14H13BrNO.HI/c1-16-9-3-2-4-13(16)10-14(17)11-5-7-12(15)8-6-11;/h2-9H,10H2,1H3;1H/q+1;/p-1
- Synonyms
- S 24795 | HY-11053 | S 24795, >=98% (HPLC) | 2-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpyridiniumiodide | 2-[2-(4-Brom...
- S 38093◐ .Made to order · 8–12 wks Item #: S287735View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propoxy]benzamide
- SMILES
- C1CC2CN(CC2C1)CCCOC3=CC=C(C=C3)C(=O)N
- InChIKey
- MRNMYWNBLVJWKG-GASCZTMLSA-N
- InChI
- 1S/C17H24N2O2/c18-17(20)13-5-7-16(8-6-13)21-10-2-9-19-11-14-3-1-4-15(14)12-19/h5-8,14-15H,1-4,9-12H2,(H2,18,20)/t14-,15+
- Synonyms
- rel-4-[3-[(3aR,6aS)-Hexahydrocyclopenta[c]pyrrol-2(1H)-yl]propoxy]benzamide
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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.
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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.