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
24,643Navigate 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
102,641Explore 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)
19,704Find 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)
8,783Shop 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
- Adiphenine HCl● In Stock — US warehouse, ships to EU* Item #: A129364View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride
- SMILES
- CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl
- InChIKey
- LKPINBXAWIMZCG-UHFFFAOYSA-N
- InChI
- 1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
- Synonyms
- NSC758234 | NSC-758234 | MLS002222150 | Prestwick_7 | 2-(Diethylamino)ethyl diphenylacetate hydrochloride | A828115 |...
- Leptin Fragment 116-130 Amide mouse● In Stock — US warehouse, ships to EU* Item #: L118995View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- show more
- InChIKey
- YEHDWBRMEXDYLT-RDEOYNLOSA-N
- InChI
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- Synonyms
- Obese Gene Peptide 116-130 Amide Leptin (116-130), mouse H-Ser-Cys-Ser-Leu-Pro-Gln-Thr-Ser-Gly-Leu-Gln-Lys-Pro-Glu-Se...
- Pazopanib HCl (GW786034 HCl), Vascular endothelial growth factor receptor inhibitorCAS: 635702-64-6 Formula: C21H23N7O2S·HCl Molecular Weight: 473.98● In Stock — US warehouse, ships to EU* Item #: P129722View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;hydrochloride
- SMILES
- CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N.Cl
- InChIKey
- MQHIQUBXFFAOMK-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- GW786034 HCl | 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;hydroch...
- SCH 39166 hydrobromideCAS: 1227675-51-5 EC Number: 111-923-4 PubChem CID: 73324728 Formula: C19H20ClNO.HBr Molecular Weight: 394.73◐ .Made to order · 8–12 wks Item #: S287213View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol;hydrobromide
- SMILES
- CN1CCC2=CC(=C(C=C2C3C1CCC4=CC=CC=C34)O)Cl.Br
- InChIKey
- GAUWIDFICGEZKR-UHFFFAOYSA-N
- InChI
- 1S/C19H20ClNO.BrH/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21;/h2-5,10-11,17,19,22H,6-9H2,1H3;1H
- Synonyms
- Ecopipam hydrobromide | (6aS-trans)-11-Chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-5H-benzo[d]naphth[2,1-b]azepin-12-ol ...
- Sodium phenylphosphinateCAS: 4297-95-4 EC Number: 224-305-5 PubChem CID: 6364990 Formula: C6H6O2PNa Molecular Weight: 164.08Solid ≥98%● In Stock — US warehouse, ships to EU* Item #: S303710View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;oxido-oxo-phenylphosphanium
- SMILES
- C1=CC=C(C=C1)[P+](=O)[O-].[Na+]
- InChIKey
- HHJJPFYGIRKQOM-UHFFFAOYSA-N
- InChI
- 1S/C6H5O2P.Na/c7-9(8)6-4-2-1-3-5-6;/h1-5H;/q;+1
- Synonyms
- sodium;oxido-oxo-phenylphosphanium | sodiumphenylphosphinate | Sodium benzenephosphinate | 5YH1F4503C | EINECS 224-30...
- Pemetrexed disodium hydrateCAS: 357166-30-4 EC Number: 604-733-2, 814-356-7 PubChem CID: 135564527 Formula: C20H21N5O6·5/2H2O·2Na Molecular Weight: 516.42● In Stock — US warehouse, ships to EU* Item #: P140269View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- tetrasodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;pentahydrate
- SMILES
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- InChIKey
- ZCTCZKWJFTYNMZ-WKUCUCPSSA-J
- InChI
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- Synonyms
- UNII-F4GSH45R4C | Pemetrexed accord | (S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)be...
- Pituitary adenylate cyclase activating polypeptide-38(PACAP-38)CAS: 137061-48-4 Formula: C203H331N63O53S Molecular Weight: 4534.26● In Stock — US warehouse, ships to EU* Item #: P118976View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- PACAP-38 | Pituitary adenylate cyclase-activating peptide | His-Ser-Asp-Gly-Ile-Phe-Thr-Asp-Ser-Tyr-Ser-Arg-Tyr-Arg-L...
- Polyethyleneglycol2-ethylhexyletherCAS: 26468-86-0 Formula: (C2H4O)n·C8H18OPEH-3● In Stock — Germany Item #: P303272View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(2-ethylhexoxy)ethanol
- SMILES
- CCCCC(CC)COCCO
- InChIKey
- OHJYHAOODFPJOD-UHFFFAOYSA-N
- InChI
- 1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3
- Synonyms
- 2-(2-Ethylhexyloxy)ethanol|1559-35-9|2-(2-ethylhexoxy)ethanol|Ethanol, 2-[(2-ethylhexyl)oxy]-|2-((2-Ethylhexyl)oxy)et...
- Polyquaternium-2810 wt. % in H2O● In Stock — Germany Item #: B278970View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-ethenylpyrrolidin-2-one;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
- SMILES
- CC(=C)C(=O)NCCC[N+](C)(C)C.C=CN1CCCC1=O.[Cl-]
- InChIKey
- WAROVFJVCBYVHY-UHFFFAOYSA-N
- InChI
- 1S/C10H20N2O.C6H9NO.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;1-2-7-5-3-4-6(7)8;/h1,6-8H2,2-5H3;2H,1,3-5H2;1H
- Synonyms
- Gafquat HS 100|131954-48-8|1-ethenylpyrrolidin-2-one;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride|...
- Alkyne NHS ester (hexynoic acid NHS ester)CAS: 906564-59-8 Formula: C10H11NO4 Molecular Weight: 209.2● In Stock — US warehouse, ships to EU* Item #: A171448View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (2,5-dioxopyrrolidin-1-yl) hex-5-ynoate
- SMILES
- C#CCCCC(=O)ON1C(=O)CCC1=O
- InChIKey
- CXSSWEBEHUYETJ-UHFFFAOYSA-N
- InChI
- 1S/C10H11NO4/c1-2-3-4-5-10(14)15-11-8(12)6-7-9(11)13/h1H,3-7H2
- Alkyne Phosphoramidite◐ .Made to order · 8–12 wks Item #: A276532View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxycyclohexyl]hex-5-ynamide
- SMILES
- CC(C)N(C(C)C)P(OCCC#N)OC1CCC(CC1)NC(=O)CCCC#C
- InChIKey
- FWCBAXQTOIUYTE-UHFFFAOYSA-N
- InChI
- 1S/C21H36N3O3P/c1-6-7-8-10-21(25)23-19-11-13-20(14-12-19)27-28(26-16-9-15-22)24(17(2)3)18(4)5/h1,17-20H,7-14,16H2,2-5H3,(H,23,25)
- Synonyms
- trans-4-(5-Hexynoylamino)cyclohexyloxy-N,N-diisopropylamino-2-cyanoethyloxyphosphine
- Pentoxyverine Citrate, Sigma opioid receptor agonist● In Stock — US warehouse, ships to EU* Item #: P129500View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
- SMILES
- CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
- InChIKey
- AKJDEXBCRLOVTH-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- AKOS015899622 | NCGC00093760-01 | (E)-3,7-Dimethyl-2,6-octadienenitrile | A839013 | HMS2096M15 | Prestwick_748 | Tocl...
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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.