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
- RS 39604 hydrochloride◐ .Made to order · 8–12 wks Item #: R288625View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride
- SMILES
- COC1=CC(=CC(=C1)COC2=CC(=C(C=C2C(=O)CCC3CCN(CC3)CCNS(=O)(=O)C)Cl)N)OC.Cl
- InChIKey
- QSMYZGMJSGUWPM-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- SR-01000597847-1 | HB1413 | MFCD22378484 | Q27133015 | EAM | RS-39604 Hydrochloride | SCHEMBL2946335 | N-[2-[4-[3-[4-...
- Remoxipride hydrochloride● In Stock — US warehouse, ships to EU* Item #: R286769View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide;hydrochloride
- SMILES
- CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC.Cl
- InChIKey
- WCPXLMIPGMFZMY-MERQFXBCSA-N
- InChI
- 1S/C16H23BrN2O3.ClH/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3;/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20);1H/t11-;/m0./s1
- Synonyms
- (S)-(-)-3-Bromo-N-[(1-ethyl-2-pyrrolidinylmethyl]2,6-dimethoxybenzamide hydrochloride | SCHEMBL122729 | Roxiam | AKOS...
- Necrostatin-5CAS: 337349-54-9 Formula: C19H17N3O2S2 Molecular Weight: 383.49● In Stock — US warehouse, ships to EU* Item #: N274792View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile
- SMILES
- COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)SC4=C3CCCC4
- InChIKey
- VGONMECBFMCKBS-UHFFFAOYSA-N
- InChI
- 1S/C19H17N3O2S2/c1-24-13-8-6-12(7-9-13)22-18(23)16-14-4-2-3-5-15(14)26-17(16)21-19(22)25-11-10-20/h6-9H,2-5,11H2,1H3
- Synonyms
- STL304760 | SCHEMBL12682848 | Necrostatin-5, >=98% (HPLC), solid | AKOS000510375 | Oprea1_213608 | Oprea1_435788 | HM...
- (E/Z)-NecrosulfonamideCAS: 432531-71-0 Formula: C18H15N5O6S2 Molecular Weight: 461.47Solid 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 #: N276059View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
- SMILES
- COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]
- InChIKey
- FNPPHVLYVGMZMZ-XBXARRHUSA-N
- InChI
- 1S/C18H15N5O6S2/c1-29-18-17(19-10-11-20-18)22-31(27,28)14-6-2-12(3-7-14)21-15(24)8-4-13-5-9-16(30-13)23(25)26/h2-11H,1H3,(H,19,22)(H,21,24)/b8-4+
- Synonyms
- STL429797 | HY-100573A | SCHEMBL17509590 | DTXSID00364437 | MFCD02370191 | (E)-N-[4-[N-(3-methoxypyrazin-2-yl)sulfamo...
- Naproxen Sodium, Cyclooxygenase inhibitorSolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%● In Stock — US warehouse, ships to EU* Item #: N129290View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;(2S)-2-(6-methoxynaphthalen-2-yl)propanoate
- SMILES
- CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].[Na+]
- InChIKey
- CDBRNDSHEYLDJV-FVGYRXGTSA-M
- InChI
- 1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1
- Synonyms
- sodium (S)-2-(6-methoxynaphthalen-2-yl)propanoate | Dysmenalgit | Naproxen sodium (USAN:USP) | Apo-Napro-NA | Floneks...
- Raphin 1● In Stock — US warehouse, ships to EU* Item #: R287653View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(E)-(2,3-dichlorophenyl)methylideneamino]guanidine
- SMILES
- C1=CC(=C(C(=C1)Cl)Cl)C=NN=C(N)N
- InChIKey
- WLTSTDGGFCQWTK-YIXHJXPBSA-N
- InChI
- 1S/C8H8Cl2N4/c9-6-3-1-2-5(7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
- Synonyms
- 2-(2,3-Dichlorobenzylidene)hydrazine-1-carboximidamide | BDBM50545524 | 3-[(2,3-DICHLOROPHENYL)METHYLENE]CARBAZAMIDIN...
- Rauwolscine hydrochlorideCAS: 6211-32-1 EC Number: 228-279-6 PubChem CID: 197067 Formula: C21H26N2O3.HCl Molecular Weight: 390.91● In Stock — US warehouse, ships to EU* Item #: R275200View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
- SMILES
- COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl
- InChIKey
- PIPZGJSEDRMUAW-ZKKXXTDSSA-N
- InChI
- show more
- Synonyms
- alpha-Yohimbine hydrochloride | MLS001306433 | Rauwolscine * HCl | (1s,2s,4as,13bs,14as)-methyl 2-hydroxy-1,2,3,4,4a,...
- Boc-2-fluoro-L-beta-homophenylalanineCAS: 218608-99-2 Formula: C15H20FNO4 Molecular Weight: 297.33● In Stock — US warehouse, ships to EU* Item #: B356196View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S)-4-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CC=CC=C1F)CC(=O)O
- InChIKey
- PUMMDCKRQRQFAD-NSHDSACASA-N
- InChI
- 1S/C15H20FNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
- Synonyms
- DTXSID301147943 | (3S)-4-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid | AKOS015948853 | (S...
- Boc-2-iodo-D-phenylalanine● In Stock — US warehouse, ships to EU* Item #: B355845View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2R)-3-(2-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- SMILES
- CC(C)(C)OC(=O)NC(CC1=CC=CC=C1I)C(=O)O
- InChIKey
- CAPUJMUOMAUNOD-LLVKDONJSA-N
- InChI
- 1S/C14H18INO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
- Synonyms
- MFCD03840395 | Boc-2-Iodo-D-Phenylalanine | (2R)-3-(2-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic ...
- RU 24969 hemisuccinate● In Stock — US warehouse, ships to EU* Item #: R275569View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- butanedioic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
- SMILES
- COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O
- InChIKey
- BNYJLRQAWCQJOM-UHFFFAOYSA-N
- InChI
- 1S/2C14H16N2O.C4H6O4/c2*1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10;5-3(6)1-2-4(7)8/h2*2-4,8-9,15-16H,5-7H2,1H3;1-2H2,(H,5,6)(H,7,8)
- Synonyms
- 5-Methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole succinate(2:1) | butanedioic acid;5-methoxy-3-(1,2,3,6-tetrahy...
- Raloxifene 4′-Glucuronide◐ .Made to order · 8–12 wks Item #: R338224View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylic acid
- SMILES
- C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O
- InChIKey
- VHXYPEXOSLGZKH-WKRHDJAJSA-N
- InChI
- show more
- Synonyms
- HY-135582 | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2...
- Raloxifene HCl, Estrogen receptor beta modulatorCAS: 82640-04-8 EC Number: 639-789-7 PubChem CID: 54900 Formula: C28H27NO4S·HCl Molecular Weight: 510.04● In Stock — US warehouse, ships to EU* Item #: R129396View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
- SMILES
- C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl
- InChIKey
- BKXVVCILCIUCLG-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- EN300-52517 | [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochlo...
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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.