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
24,635Navigate 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
102,621Explore 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)
19,694Find 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 —to build screening and validation sets.
By Disease (DOID)
8,779Shop 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.
Products
- Adiphenine HCl10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A407891View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- α-phenyl-benzeneacetic acid 2-(diethylamino)ethyl ester, hydrochloride (1:1)
- AdipoRon10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A426942View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-benzoylphenoxy)-N-(1-benzylpiperidin-4-yl)acetamide
- SMILES
- C1CN(CCC1NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4
- InChIKey
- SHHUPGSHGSNPDB-UHFFFAOYSA-N
- InChI
- 1S/C27H28N2O3/c30-26(28-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21)20-32-25-13-11-23(12-14-25)27(31)22-9-5-2-6-10-22/h1-14,24H,15-20H2,(H,28,30)
- Synonyms
- AdipoRon|924416-43-3|2-(4-benzoylphenoxy)-N-(1-benzylpiperidin-4-yl)acetamide|SC-396658|ND7UVH6GKJ|CHEMBL3393145|2-(4...
- AdjudinCAS: 252025-52-8 Formula: C15H12Cl2N4O Molecular Weight: 335.1910mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A422873View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(2,4-dichlorophenyl)methyl]indazole-3-carbohydrazide
- SMILES
- C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)NN
- InChIKey
- VENCPJAAXKBIJD-UHFFFAOYSA-N
- InChI
- 1S/C15H12Cl2N4O/c16-10-6-5-9(12(17)7-10)8-21-13-4-2-1-3-11(13)14(20-21)15(22)19-18/h1-7H,8,18H2,(H,19,22)
- Synonyms
- HY-18996 | (2,5-Dioxopyrrolidin-1-yl) (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoate | 1-((2,4-Dichlorophenyl)m...
- Admire● In Stock — Germany Item #: A302148View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
- SMILES
- C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl
- InChIKey
- YWTYJOPNNQFBPC-UHFFFAOYSA-N
- InChI
- 1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
- Synonyms
- 105827-78-9|N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide|N-[1-[(6-chloropyridin-3-yl)methyl...
- Adomeglivant, Antagonist of glukagon receptorCAS: 1488363-78-5 Formula: C32H36F3NO4 Molecular Weight: 555.63Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A421743View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-[[4-[(1S)-1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]-4,4,4-trifluorobutyl]benzoyl]amino]propanoic acid
- SMILES
- CC1=CC(=CC(=C1C2=CC=C(C=C2)C(C)(C)C)C)OC(CCC(F)(F)F)C3=CC=C(C=C3)C(=O)NCCC(=O)O
- InChIKey
- FASLTMSUPQDLIB-MHZLTWQESA-N
- InChI
- show more
- Synonyms
- F85410 | AKOS040741049 | FASLTMSUPQDLIB-MHZLTWQESA-N | A858152 | ADOMEGLIVANT [WHO-DD] | .BETA.-ALANINE, N-(4-((1S)-1...
- AfatinibCAS: 439081-18-2 Formula: C24H25ClFN5O3 Molecular Weight: 485.9410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A423984View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
- SMILES
- CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4
- InChIKey
- ULXXDDBFHOBEHA-CWDCEQMOSA-N
- InChI
- show more
- Synonyms
- BIBW2992 | (2E)-N-(4-(3-chloro-4-fluoroanilino)-7-(((3S)-oxolan-3-yl)oxy)quinoxazolin-6-yl)-4-(dimethylamino)but-2-en...
- Adenosine 5'-monophosphate monohydrateCAS: 18422-05-4 Formula: C10H14N5O7P·H2O Molecular Weight: 365.2410mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A422257View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
- SMILES
- O[C@H]1[C@@H](O)[C@H](N(C=N2)C3=C2C(N)=NC=N3)O[C@@H]1COP(O)(O)=O.O
- InChIKey
- ZOEFQKVADUBYKV-MCDZGGTQSA-N
- InChI
- show more
- Synonyms
- F85584 | MLS001306420 | 9-(5-O-Phosphonopentofuranosyl)-9H-purin-6-amine--water (1/1) | A812845 | SR-01000837507 | PC...
- Afatinib (BIBW2992)10mM in DMSO◐ .Made to order · 8–12 wks Item #: A409277View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- (S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
- Afatinib dimaleate, Receptor protein-tyrosine kinase erbB-4 inhibitorCAS: 850140-73-7 EC Number: 810-416-1 PubChem CID: 15606394 Formula: C32H33ClFN5O11 Molecular Weight: 718.0810mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A426249View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (Z)-but-2-enedioic acid;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
- SMILES
- CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
- InChIKey
- USNRYVNRPYXCSP-JUGPPOIOSA-N
- InChI
- show more
- Synonyms
- BIBW2992 DiMaleate | (2E)-N-(4-[(3-chloro-4-fluorophenyl)amino]-7-{[(3S)-tetrahydrofuran-3-yl]oxy}quinazolin-6-yl)-4-...
- Adenosine 5′-triphosphate disodium salt (ATP)CAS: 987-65-5 Formula: C10H14N5Na2O13P3 Molecular Weight: 551.1510mM in Water● In Stock — US warehouse, ships to EU* Item #: A427208View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
- SMILES
- C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]
- InChIKey
- TTWYZDPBDWHJOR-IDIVVRGQSA-L
- InChI
- show more
- Synonyms
- 987-65-5|ATP disodium salt|Adenosine triphosphate disodium|ATP disodium|Adenosine 5'-triphosphate disodium salt|Adeti...
- Adrenalone HCl10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A408863View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)
- Adrenosterone10mM in DMSO● In Stock — US warehouse, ships to EU* Item #: A423772View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione
- SMILES
- CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4=O)C
- InChIKey
- RZRPTBIGEANTGU-IRIMSJTPSA-N
- InChI
- 1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1
- Synonyms
- Prestwick0_000899 | C05285 | 11-oxo4-androstene-3,17-dione | Z56904744 | AS-56448 | BSPBio_000718 | Reichstein's subs...
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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.