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
2,814PROTAC 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
102,665Explore 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
- PS-1145 dihydrochlorideCAS: 1049743-58-9 Formula: C17H11ClN4O.2HCl Molecular Weight: 395.67Solid 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 #: P339439View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamide;dihydrochloride
- SMILES
- C1=CC(=CN=C1)C(=O)NC2=CC(=CC3=C2NC4=C3C=CN=C4)Cl.Cl.Cl
- InChIKey
- QTDCBADLGJZBHP-UHFFFAOYSA-N
- InChI
- 1S/C17H11ClN4O.2ClH/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10;;/h1-9,21H,(H,22,23);2*1H
- Synonyms
- N-(6-Chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamide dihydrochloride | PS-1145 2HCl
- PSB 10 hydrochloride◐ .Made to order · 8–12 wks Item #: P288515View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (8R)-8-ethyl-4-methyl-2-(2,3,5-trichlorophenyl)-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one;hydrochloride
- SMILES
- CCC1CN2C(=C3C(=NC(=N3)C4=C(C(=CC(=C4)Cl)Cl)Cl)N(C2=O)C)N1.Cl
- InChIKey
- IEBFUVHYQGOQSS-DDWIOCJRSA-N
- InChI
- 1S/C16H14Cl3N5O.ClH/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19;/h4-5,8,20H,3,6H2,1-2H3;1H/t8-;/m1./s1
- Synonyms
- C2R36CZP9N | PSB-10 (hydrochloride) | (8R)-8-Ethyl-4-methyl-2-(2,3,5-trichlorophenyl)-8,9-dihydro-7H-imidazo[2,1-f]pu...
- KY02111Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: K129803View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
- SMILES
- COC1=C(C=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)OC
- InChIKey
- LXFKEVQQSKQXPR-UHFFFAOYSA-N
- InChI
- 1S/C18H17ClN2O3S/c1-23-14-7-3-11(9-15(14)24-2)4-8-17(22)21-18-20-13-6-5-12(19)10-16(13)25-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21,22)
- Synonyms
- EN300-1266069 | UNII-6AXH36YF6M | AS-16445 | DTXSID80429194 | MFCD08483062 | KY02111 | KY-02111 | UNII-A4125MQ8RX | 2...
- Pyruvic acid● In Stock — US warehouse, ships to EU* Item #: P104138View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-oxopropanoic acid
- SMILES
- CC(=O)C(=O)O
- InChIKey
- LCTONWCANYUPML-UHFFFAOYSA-N
- InChI
- 1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
- Synonyms
- 13C Labeled pyruvic acid | Brenztraubensaeure | 2-Oxopropansaure | bmse000112 | B3CFF0AD-2F35-484C-B062-4AC88A1B2830 ...
- NSC 668036CAS: 144678-63-7 Formula: C21H36N2O9 Molecular Weight: 460.52◐ .Made to order · 8–12 wks Item #: N286922View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid
- SMILES
- CC(C)C(C(=O)NC(C)C(=O)OC(C(C)C)C(=O)O)OC(=O)C(C)NC(=O)OC(C)(C)C
- InChIKey
- IPICFSFUAKDZEI-UHFFFAOYSA-N
- InChI
- 1S/C21H36N2O9/c1-10(2)14(30-19(28)13(6)23-20(29)32-21(7,8)9)16(24)22-12(5)18(27)31-15(11(3)4)17(25)26/h10-15H,1-9H3,(H,22,24)(H,23,29)(H,25,26)
- Synonyms
- N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-(2S)-2-hydroxy-3-methylbutanoyl-L-alanine-(1S)-1-carboxy-2-methylpropyl ester
- PRIMA-1● In Stock — US warehouse, ships to EU* Item #: P287856View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one
- SMILES
- C1CN2CCC1C(=O)C2(CO)CO
- InChIKey
- RFBVBRVVOPAAFS-UHFFFAOYSA-N
- InChI
- 1S/C9H15NO3/c11-5-9(6-12)8(13)7-1-3-10(9)4-2-7/h7,11-12H,1-6H2
- Synonyms
- HMS1989H08 | SR-01000597545-3 | AKOS006292956 | HMS3676L12 | HY-19980A | CCG-38318 | RFBVBRVVOPAAFS-UHFFFAOYSA-N | A8...
- Undecylprodigiosin◐ .Made to order · 8–12 wks Item #: U276452View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2Z)-3-methoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
- SMILES
- CCCCCCCCCCCC1=CC=C(N1)C=C2C(=CC(=N2)C3=CC=CN3)OC
- InChIKey
- HIYSWASSDOXZLC-MOHJPFBDSA-N
- InChI
- 1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(27-20)18-24-25(29-2)19-23(28-24)22-14-12-17-26-22/h12,14-19,26-27H,3-11,13H2,1-2H3/b24-18-
- Synonyms
- (2Z,5Z)-3-Methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
- PU 02● In Stock — US warehouse, ships to EU* Item #: P287725View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-(naphthalen-1-ylmethylsulfanyl)-7H-purine
- SMILES
- C1=CC=C2C(=C1)C=CC=C2CSC3=NC=NC4=C3NC=N4
- InChIKey
- BGMSTNYJYPSLHN-UHFFFAOYSA-N
- InChI
- 1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20)
- Synonyms
- 6-[(1-Naphthalenylmethyl)thio]-9H-purine
- PU-H71CAS: 873436-91-0 Formula: C18H21IN6O2S Molecular Weight: 512.37Solid 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 #: P126239View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
- SMILES
- CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N
- InChIKey
- SUPVGFZUWFMATN-UHFFFAOYSA-N
- InChI
- 1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
- Synonyms
- DivK1c_006639 | Oprea1_485666 | STR09510 | UNII-06IVK87M04 | PU-H71, d6 | HMS3653N04 | J-690375 | SB17115 | 06IVK87M0...
- PYR-41● In Stock — US warehouse, ships to EU* Item #: P303688View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- ethyl 4-[(4Z)-4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
- SMILES
- CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)N2
- InChIKey
- ARGIPZKQJGFSGQ-LCYFTJDESA-N
- InChI
- 1S/C17H13N3O7/c1-2-26-17(23)10-3-5-11(6-4-10)19-16(22)13(15(21)18-19)9-12-7-8-14(27-12)20(24)25/h3-9H,2H2,1H3,(H,18,21)/b13-9-
- Synonyms
- 4-[4-(5-nitro-furan-2-ylmethylene)-3,5-dioxo-pyrazolidin-1-yl]-benzoic acid ethyl ester | ethyl 4-(4-((5-nitrofuran-2...
- Naphazoline nitrateCAS: 5144-52-5 Formula: C14H14N2·HNO3 Molecular Weight: 273.29● In Stock — US warehouse, ships to EU* Item #: N170703View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;nitric acid
- SMILES
- C1CN=C(N1)CC2=CC=CC3=CC=CC=C32.[N+](=O)(O)[O-]
- InChIKey
- ZAHXYMFVNNUHCP-UHFFFAOYSA-N
- InChI
- 1S/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4)
- Synonyms
- NAPHAZOLINE NITRATE [EP IMPURITY] | Rhinon | 2-(1-Naphthylmethyl)-4,5-dihydro-1H-imidazole nitrate | Naphthylmethyl-2...
- Urolithin ASolid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)● In Stock — US warehouse, ships to EU* Item #: U287598View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3,8-dihydroxybenzo[c]chromen-6-one
- SMILES
- C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O
- InChIKey
- RIUPLDUFZCXCHM-UHFFFAOYSA-N
- InChI
- 1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
- Synonyms
- 3,8-Dihydroxyurolithin | 3,8-dihydroxy-urolithin | FT-0778244 | 3,8-dihydroxy-6h-dibenzo[b,d]pyran-6-one | 3,8-Dihydr...
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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.