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
24,642Navigate 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
102,634Explore 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)
19,701Find 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)
8,782Shop 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
- DihydrothymineCAS: 696-04-8 Formula: C5H8N2O2 Molecular Weight: 128.13● In Stock — US Item #: D304423View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-methyl-1,3-diazinane-2,4-dione
- SMILES
- CC1CNC(=O)NC1=O
- InChIKey
- NBAKTGXDIBVZOO-UHFFFAOYSA-N
- InChI
- 1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
- Synonyms
- STL007737 | NSC 44131 | 2,3H)-Pyrimidinedione, dihydro-5-methyl- | Z51MHT1W75 | Z55928832 | GEO-01093 | 2-Butenoic ac...
- Hexakis(2,2-difluoroethoxy)phosphazeneCAS: 186817-57-2 Formula: C12H18F12N3O6P3 Molecular Weight: 621.19Solid● In Stock — US Item #: H353459View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2,2,4,4,6,6-hexakis(2,2-difluoroethoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
- SMILES
- C(C(F)F)OP1(=NP(=NP(=N1)(OCC(F)F)OCC(F)F)(OCC(F)F)OCC(F)F)OCC(F)F
- InChIKey
- ZENPVEFDWIHAJJ-UHFFFAOYSA-N
- InChI
- 1S/C12H18F12N3O6P3/c13-7(14)1-28-34(29-2-8(15)16)25-35(30-3-9(17)18,31-4-10(19)20)27-36(26-34,32-5-11(21)22)33-6-12(23)24/h7-12H,1-6H2
- Synonyms
- 2,2,4,4,6,6-hexakis[2,2-bis(fluoranyl)ethoxy]-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene |...
- Angiotensin Converting Enzyme InhibitorCAS: 35115-60-7 Formula: C53H76N14O12 Molecular Weight: 1101.26● In Stock — US Item #: A118761View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
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- SMILES
- CCC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)C4CCCN4C(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C7CCC(=O)N7
- InChIKey
- UUUHXMGGBIUAPW-CSCXCSGISA-N
- InChI
- show more
- Synonyms
- C3E5QBF1R6 | SO 20881 | 5-Oxo-L-prolyl-L-tryptophyl-L-prolyl-L-arginyl-L-prolyl-L-glutaminyl-L-isoleucyl-L-prolyl-L-p...
- Angiotensin I human acetate salt hydrateCAS: 70937-97-2 PubChem CID: 129893887 Formula: C62H89N17O14·xC2H4O2·yH2O Molecular Weight: 1296.48 (anhydrous,free base)Solid ≥97%● In Stock — US Item #: A101619View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- show more
- InChIKey
- GQMWNZUFNXZMDE-TYQYNJATSA-N
- InChI
- show more
- Synonyms
- Angiotensin I human acetate salt hydrate|(Ile5)-Angiotensin I acetate|Angiotensin I, diacetate (salt)|70937-97-2|VCA9...
- N-(5-Fluoresceinyl)-N'-(2-cyclopamineethyl)thiourea◐ .Made to order · 8–12 wks Item #: F276541View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- N-(5-Fluoresceinyl)-N'-(2-cyclopamineethyl)thiourea
- Angiotensin III, human, mouse（Acetate）CAS: 13602-53-4(free) Formula: C46H66N12O9﹒X C2H4O2（free） Molecular Weight: 931.10（free）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 Item #: A302486View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- Angiotensin III, human, mouse
- Angiotensin ItrifluoroacetateCAS: 484-42-4(free) Formula: C62H89N17O14·C2F3O2H Molecular Weight: 1410.5● In Stock — US Item #: A294929View ProductPricing & Pack Sizes
Technical Identifiers
- Synonyms
- H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-OHtrifluoroacetate
- Aeroplysinin (Aeroplysinin-1)CAS: 28656-91-9 Formula: C9H9Br2NO3 Molecular Weight: 338.98◐ .Made to order · 8–12 wks Item #: A275514View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(1S,6R)-3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl]acetonitrile
- SMILES
- COC1=C(C(C(C=C1Br)(CC#N)O)O)Br
- InChIKey
- BGYNLOSBKBOJJD-IUCAKERBSA-N
- InChI
- 1S/C9H9Br2NO3/c1-15-7-5(10)4-9(14,2-3-12)8(13)6(7)11/h4,8,13-14H,2H2,1H3/t8-,9-/m0/s1
- Synonyms
- Aeroplysinin I, (+)- | Aeroplysinin,aplysina aerophoba | AKOS030530966 | CHEBI:80925 | 2, 3,5-dibromo-1,6-dihydroxy-4...
- Ani 9CAS: 356102-14-2 Formula: C17H17ClN2O3 Molecular Weight: 332.78● In Stock — US Item #: A288382View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
- SMILES
- CC1=C(C=CC(=C1)Cl)OCC(=O)NN=CC2=CC=CC=C2OC
- InChIKey
- KDALDZRKOBJXIE-VXLYETTFSA-N
- InChI
- 1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
- Synonyms
- 2-(4-Chloro-2-methylphenoxy)-N'-(2-methoxybenzylidene)acetohydrazide | (4-Chloro-2-methylphenoxy)-acetic acid [(2-met...
- Perfluorohexanesulfonic acidTechnical grade ? Technical grade — industrial-quality purity with no tight impurity guarantees. Use for large-scale or non-critical processes where cost matters most.● In Stock — US Item #: P303524View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
- SMILES
- C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
- InChIKey
- QZHDEAJFRJCDMF-UHFFFAOYSA-N
- InChI
- 1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)
- Synonyms
- Perfluorohexanesulfonic acid | 1-HEXANESULFONIC ACID, TRIDECAFLUORO- | Perfluorohexanesulfonic acid 100 microg/mL in ...
- AnguizoleCAS: 442666-98-0 Formula: C17H11ClF2N4O2S Molecular Weight: 408.81● In Stock — US Item #: A125991View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- SMILES
- C1=COC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)Cl)C(=O)NCC4=CC=CS4
- InChIKey
- GBNREAYNZPJROB-UHFFFAOYSA-N
- InChI
- 1S/C17H11ClF2N4O2S/c18-17(19,20)14-7-11(13-4-1-5-26-13)22-15-8-12(23-24(14)15)16(25)21-9-10-3-2-6-27-10/h1-8H,9H2,(H,21,25)
- Synonyms
- Anguizole,CAS:442666-98-0 | 7-[chloro(difluoro)methyl]-5-furan-2-yl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-...
- Fmoc-4-fluoro-DL-phenylalanineCAS: 264276-42-8 Formula: C24H20FNO4 Molecular Weight: 405.43● In Stock — US Item #: F338557View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)O
- InChIKey
- IXUMACXMEZBPJG-UHFFFAOYSA-N
- InChI
- 1S/C24H20FNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)
- Synonyms
- 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-fluorophenyl)propanoic acid | E70524 | EN300-624073 | FMOC-L-4-Flu...
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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.