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
24,653Navigate 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
- Calpain Inhibitor VICAS: 190274-53-4 Formula: C17H25FN2O4S Molecular Weight: 372.5◐ .Made to order · 8–12 wks Item #: C336446View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide
- SMILES
- CC(C)CC(C=O)NC(=O)C(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)F
- InChIKey
- WSJWUIDLGZAXID-UHFFFAOYSA-N
- InChI
- 1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)
- Synonyms
- N-(4-Fluorophenylsulfonyl)-L-Valyl-L-Leucinal | 2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-(4-methyl-1-oxopentan-2-...
- BufalinSolid 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 #: B170472View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O
- InChIKey
- QEEBRPGZBVVINN-BMPKRDENSA-N
- InChI
- show more
- Synonyms
- 3-methoxy-2-pyridinone | Bufalin: Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-, | bufalin | Bufa-20,22-dienolide, ...
- Guangxitoxin 1E trifluoroacetate saltCAS: 1233152-82-3(free base) Formula: C178H248N44O45S7.xC2HF3O2 Molecular Weight: 3948.61(free base)◐ .Made to order · 8–12 wks Item #: G275127View ProductPricing & Pack Sizes
Technical Identifiers
- N-(4-Carboxy-3-hydroxyphenyl)maleimideCAS: 19232-43-0 Formula: C11H7NO5 Molecular Weight: 233.18◐ .Made to order · 8–12 wks Item #: C275046View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 4-(2,5-dioxopyrrol-1-yl)-2-hydroxybenzoic acid
- SMILES
- C1=CC(=C(C=C1N2C(=O)C=CC2=O)O)C(=O)O
- InChIKey
- SMSVFCGGVBWUJL-UHFFFAOYSA-N
- InChI
- 1S/C11H7NO5/c13-8-5-6(1-2-7(8)11(16)17)12-9(14)3-4-10(12)15/h1-5,13H,(H,16,17)
- Synonyms
- Acetic acid, 2-(benzoyloxy)-2-cyano-, ethyl ester | HY-115756 | J-012432 | FT-0618857 | AKOS000139989 | DTXSID3017282...
- BGP 15CAS: 66611-37-8 Formula: C14H22N4O2•2HCl Molecular Weight: 351.27● In Stock — US warehouse, ships to EU* Item #: B286640View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
- SMILES
- C1CCN(CC1)CC(CON=C(C2=CN=CC=C2)N)O.Cl.Cl
- InChIKey
- ISGGVCWFTPTHIX-UHFFFAOYSA-N
- InChI
- 1S/C14H22N4O2.2ClH/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18;;/h4-6,9,13,19H,1-3,7-8,10-11H2,(H2,15,17);2*1H
- Synonyms
- s8370 | 3-Pyridinecarboximidamide, N-(2-hydroxy-3-(1-piperidinyl)propoxy)-, dihydrochloride | BGP-15, >=98% (HPLC) | ...
- N-(3-Oxooctanoyl)-DL-homoserine lactoneCAS: 106983-27-1 Formula: C12H19NO4 Molecular Weight: 241.28Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: N352354View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 3-oxo-N-(2-oxooxolan-3-yl)octanamide
- SMILES
- CCCCCC(=O)CC(=O)NC1CCOC1=O
- InChIKey
- FXCMGCFNLNFLSH-UHFFFAOYSA-N
- InChI
- 1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)
- Synonyms
- N-(beta-Ketooctanoyl)-DL-homoserine lactone | 3-oxo-N-(2-oxooxolan-3-yl)octanamide | CHEBI:181091 | N-(3-Oxooctanoyl)...
- O-(3-Chloro-2-propenyl)hydroxylamine HClCAS: 96992-71-1 Formula: C3H6ClNO.HCl Molecular Weight: 144◐ .Made to order · 8–12 wks Item #: O305044View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- O-[(E)-3-chloroprop-2-enyl]hydroxylamine;hydrochloride
- SMILES
- C(C=CCl)ON.Cl
- InChIKey
- GZDAGPDHXQKVHK-TYYBGVCCSA-N
- InChI
- 1S/C3H6ClNO.ClH/c4-2-1-3-6-5;/h1-2H,3,5H2;1H/b2-1+;
- Synonyms
- Hydroxylamine, O-(3-chloro-2-propenyl)-, hydrochloride | (E)-O-(3-CHLOROALLYL)HYDROXYLAMINE HCL | DTXSID10888770 | AK...
- Carbonyl cyanide 4-(trifluoromethoxy)phenylhydrazone（FCCP）Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(TLC)● In Stock — US warehouse, ships to EU* Item #: C169970View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
- SMILES
- C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F
- InChIKey
- BMZRVOVNUMQTIN-UHFFFAOYSA-N
- InChI
- 1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H
- Synonyms
- Mesoxalonitrile, (p-(trifluoromethoxy)phenyl)hydrazone | SR-01000645014-2 | [4-(Trifluoromethoxy)phenylhydrazono]malo...
- Guanosine 5'-triphosphate trisodium salt hydrateCAS: 36051-31-7 EC Number: 252-847-2 PubChem CID: 135445727 Formula: C10H13N5Na3O14P3 Molecular Weight: 589.13Solid ≥95%● In Stock — US warehouse, ships to EU* Item #: G106782View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- trisodium;[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] phosphate
- SMILES
- C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])O)O)N=C(NC2=O)N.[Na+].[Na+].[Na+]
- InChIKey
- KZRMTEVIDYXWQW-CYCLDIHTSA-K
- InChI
- show more
- Synonyms
- Guanosine 5'-triphosphate sodium salt hydrate, >=95% (HPLC) | trisodium;[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-...
- O-MesitylenesulfonylhydroxylamineCAS: 36016-40-7 Formula: C9H13NO3S Molecular Weight: 215.27◐ .Made to order · 8–12 wks Item #: O303539View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- amino 2,4,6-trimethylbenzenesulfonate
- SMILES
- CC1=CC(=C(C(=C1)C)S(=O)(=O)ON)C
- InChIKey
- CHKQALUEEULCPZ-UHFFFAOYSA-N
- InChI
- 1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(11,12)13-10/h4-5H,10H2,1-3H3
- Synonyms
- 36016-40-7|O-(mesitylsulfonyl)hydroxylamine|O-MESITYLENESULFONYLHYDROXYLAMINE|O-mesitylsulfonylhydroxylamine|AMINO 2,...
- BIBR 1532CAS: 321674-73-1 Formula: C21H17NO3 Molecular Weight: 331.36● In Stock — US warehouse, ships to EU* Item #: B129898View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid
- SMILES
- CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2
- InChIKey
- PGFQXGLPJUCTOI-WYMLVPIESA-N
- InChI
- 1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
- Synonyms
- IBR 1532 | MFCD11112195 | 2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic acid | s1186 | Telomerase Inhibitor X, BIBR1...
- Canertinib dihydrochloride, Receptor protein-tyrosine kinase erbB-4 inhibitorCAS: 289499-45-2 EC Number: 663-691-3 PubChem CID: 156413 Formula: C24H25ClFN5O3·2HCl Molecular Weight: 558.86● In Stock — US warehouse, ships to EU* Item #: C169301View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide;dihydrochloride
- SMILES
- C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4.Cl.Cl
- InChIKey
- JZZFDCXSFTVOJY-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- Q27280663 | A817177 | CI 1033 | EN300-19659633 | Canertinib(dihydrochloride) | PD 183805 | AKOS015924656 | Canertinib...
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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.