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
- Amezinium Methyl Sulfate● In Stock — US warehouse, ships to EU* Item #: A151192View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6-methoxy-1-phenylpyridazin-1-ium-4-amine;methyl sulfate
- SMILES
- COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2.COS(=O)(=O)[O-]
- InChIKey
- ZEASXVYVFFXULL-UHFFFAOYSA-N
- InChI
- 1S/C11H11N3O.CH4O4S/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10;1-5-6(2,3)4/h2-8,12H,1H3;1H3,(H,2,3,4)
- Synonyms
- Regulton | Amezinium methyl sulfate | DS-14012 | Metroc | Amezinin | 4-amino-6-methoxy-1-phenylpyridaziniummethylsulf...
- JNJ 0966CAS: 315705-75-0 Formula: C16H16N4O2S2 Molecular Weight: 360.45Solid ≥98%(HPLC)● In Stock — US warehouse, ships to EU* Item #: J287020View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
- SMILES
- CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=CC=C3OC
- InChIKey
- ZADCDCMLLGDCRM-UHFFFAOYSA-N
- InChI
- 1S/C16H16N4O2S2/c1-9-14(24-16(17-9)18-10(2)21)12-8-23-15(20-12)19-11-6-4-5-7-13(11)22-3/h4-8H,1-3H3,(H,19,20)(H,17,18,21)
- Synonyms
- N-[2-[(2-Methoxyphenyl)amino]-4'-methyl[4,5'-bithiazol]-2'-yl]acetamide | JNJ0966 | N-[2-[(2-Methoxyphenyl)amino]-4′-...
- AG 1295CAS: 71897-07-9 Formula: C16H14N2 Molecular Weight: 234.30Moligand™ ? 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 #: T275676View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 6,7-dimethyl-2-phenylquinoxaline
- SMILES
- CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3
- InChIKey
- FQNCLVJEQCJWSU-UHFFFAOYSA-N
- InChI
- 1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
- Synonyms
- 6,7-Dimethyl-2-phenylquinoxaline
- JP1302 dihydrochloride◐ .Made to order · 8–12 wks Item #: J274864View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine;dihydrochloride
- SMILES
- CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53.Cl.Cl
- InChIKey
- VVZOADYFJAJZGL-UHFFFAOYSA-N
- InChI
- 1S/C24H24N4.2ClH/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24;;/h2-13H,14-17H2,1H3,(H,25,26);2*1H
- Synonyms
- N-[4-(4-Methyl-1-piperazinyl)phenyl]-9-acridinaminedihydrochloride
- K 858CAS: 72926-24-0 Formula: C13H15N3O2S Molecular Weight: 277.34● In Stock — US warehouse, ships to EU* Item #: K286738View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
- SMILES
- CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C
- InChIKey
- JEFVYQYZCAVNTP-UHFFFAOYSA-N
- InChI
- 1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
- Synonyms
- N-(4-Acetyl-4,5-dihydro-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
- Tyrphostin AG 879CAS: 148741-30-4 EC Number: 878-915-7 PubChem CID: 135419190 Formula: C18H24N2OS Molecular Weight: 316.46Solid 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 #: T129799View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enethioamide
- SMILES
- CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C(=S)N
- InChIKey
- XRZYELWZLNAXGE-KPKJPENVSA-N
- InChI
- 1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+
- Synonyms
- 2-dicyclohexylphosphino-2',6' dimethoxybiphenyl | Tyrphostin AG 879 | 2-Propenethioamide, 3-(3,5-bis(1,1-dimethylethy...
- Tyrphostin AG 957Solid 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 #: T275041View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
- SMILES
- COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O
- InChIKey
- QSFREBZMBNRGOK-UHFFFAOYSA-N
- InChI
- 1S/C15H15NO4/c1-20-15(19)10-2-4-12(5-3-10)16-9-11-8-13(17)6-7-14(11)18/h2-8,16-18H,9H2,1H3
- Synonyms
- NCI60_018914 | 4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid methyl ester | Benzoic acid,4-[[(2,5-dihydroxyphenyl)...
- Tyrphostin AG 99◐ .Made to order · 8–12 wks Item #: T337828View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
- SMILES
- C1=CC(=C(C=C1C=C(C#N)C(=O)N)O)O
- InChIKey
- USOXQZNJFMKTKJ-XVNBXDOJSA-N
- InChI
- 1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
- Synonyms
- SCHEMBL242896 | BiomolKI2_000023 | R110LV8L02 | XEA52085 | Tyrphostin A46 | BRD-K60184833-001-03-1 | EC-000.2088 | ty...
- PiperineCAS: 7780-20-3 Formula: C17H19NO3 Molecular Weight: 285.37Solid ≥98%(HPLC)● In Stock — US warehouse, ships to EU* Item #: P304614View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
- SMILES
- C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3
- InChIKey
- MXXWOMGUGJBKIW-YPCIICBESA-N
- InChI
- 1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
- Synonyms
- BSPBio_002515 | MLS002153830 | Piperine, >=97% | starbld0008505 | NSC757803 | NSC-757803 | Piperidine, (E,E)- | Biope...
- U0126-EtOHSolid ≥97%● In Stock — US warehouse, ships to EU* Item #: U127670View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile;ethanol
- SMILES
- CCO.C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N
- InChIKey
- CFQULUVMLGZVAF-OYJDLGDISA-N
- InChI
- 1S/C18H16N6S2.C2H6O/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22;1-2-3/h1-8H,21-24H2;3H,2H2,1H3/b17-11+,18-12+;
- Synonyms
- U0126 monoethanolate, >=98% (HPLC), powder | (2Z,3Z)-Bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile--e...
- UPF 1069CAS: 1048371-03-4 EC Number: 687-145-9 PubChem CID: 25015515 Formula: C17H13NO3 Molecular Weight: 279.29● In Stock — US warehouse, ships to EU* Item #: U129885View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-phenacyloxy-2H-isoquinolin-1-one
- SMILES
- C1=CC=C(C=C1)C(=O)COC2=CC=CC3=C2C=CNC3=O
- InChIKey
- JJWMRRNGWSITSQ-UHFFFAOYSA-N
- InChI
- 1S/C17H13NO3/c19-15(12-5-2-1-3-6-12)11-21-16-8-4-7-14-13(16)9-10-18-17(14)20/h1-10H,11H2,(H,18,20)
- Synonyms
- HMS3653L04 | HY-14478 | SW219733-1 | 5-(2-Oxo-2-phenylethoxy)isoquinolin-1(2H)-one | HMS3678B17 | MFCD14051631 | 5-(2...
- KRIBB3 (5-(5-Ethyl-2-hydroxy-4-methoxyphenyl)-4-(4-methoxyphenyl)isoxazole)CAS: 129414-88-6 Formula: C19H19NO4 Molecular Weight: 325.36◐ .Made to order · 8–12 wks Item #: K275683View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
- SMILES
- CCC1=CC(=C(C=C1OC)O)C2=C(C=NO2)C3=CC=C(C=C3)OC
- InChIKey
- BNBHIGLOMVMJDB-UHFFFAOYSA-N
- InChI
- 1S/C19H19NO4/c1-4-12-9-15(17(21)10-18(12)23-3)19-16(11-20-24-19)13-5-7-14(22-2)8-6-13/h5-11,21H,4H2,1-3H3
- Synonyms
- 4-Ethyl-3-methoxy-6-[4-(4-methoxyphenyl)-1,2-oxazol-5(2H)-ylidene]cyclohexa-2,4-dien-1-one | 5-(5-Ethyl-2-hydroxy-4-m...
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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.