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
- AD80CAS: 1384071-99-1 Formula: C22H19F4N7O Molecular Weight: 473.44● In Stock — US warehouse, ships to EU* Item #: A275119View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
- SMILES
- CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)N
- InChIKey
- CYORWDWRQMVGHN-UHFFFAOYSA-N
- InChI
- show more
- Synonyms
- N-[4-[4-Amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea
- Cyclophosphamide monohydrate, DNA inhibitorCAS: 6055-19-2 EC Number: 640-398-9 PubChem CID: 22420 Formula: C7H15Cl2N2O2P·H2O Molecular Weight: 279.1Solid ≥97%● In Stock — US warehouse, ships to EU* Item #: C106991View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;hydrate
- SMILES
- C1CNP(=O)(OC1)N(CCCl)CCCl.O
- InChIKey
- PWOQRKCAHTVFLB-UHFFFAOYSA-N
- InChI
- 1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2
- Synonyms
- 2-(Bis(2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide hydrate | CCG-40013 | Cyclophosphamide hydrate | Cyclophos...
- Loreclezole hydrochloride◐ .Made to order · 8–12 wks Item #: L287553View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 1-[(Z)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole;hydrochloride
- SMILES
- C1=CC(=C(C=C1Cl)Cl)C(=CN2C=NC=N2)Cl.Cl
- InChIKey
- AWKSVFLKVCVVFQ-MDZFRNKHSA-N
- InChI
- 1S/C10H6Cl3N3.ClH/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16;/h1-6H;1H/b10-4-;
- Synonyms
- (Z)-1-[2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1H-1,2,4-triazole hydrochloride | R 72063 hydrochloride | R-72063 hydr...
- ANR 94● In Stock — US warehouse, ships to EU* Item #: A286839View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 8-ethoxy-9-ethylpurin-6-amine
- SMILES
- CCN1C2=NC=NC(=C2N=C1OCC)N
- InChIKey
- QUGDTMONBLMLLD-UHFFFAOYSA-N
- InChI
- 1S/C9H13N5O/c1-3-14-8-6(7(10)11-5-12-8)13-9(14)15-4-2/h5H,3-4H2,1-2H3,(H2,10,11,12)
- Synonyms
- 9H-Purin-6-amine, 8-ethoxy-9-ethyl- | SCHEMBL15689328 | ANR94 | ANR-94 | HY-103162 | MS-23133 | 8-Ethoxy-9-ethyl-9H-p...
- ABT 724 trihydrochlorideCAS: 587870-77-7 EC Number: 687-029-8 PubChem CID: 16759165 Formula: C17H22Cl3N5 Molecular Weight: 402.7● In Stock — US warehouse, ships to EU* Item #: A287403View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole;trihydrochloride
- SMILES
- C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4.Cl.Cl.Cl
- InChIKey
- AZFUVPBLKQGSRI-UHFFFAOYSA-N
- InChI
- 1S/C17H19N5.3ClH/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17;;;/h1-8H,9-13H2,(H,19,20);3*1H
- Synonyms
- 2-[(4-Pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole trihydrochloride | ABT 724 trihydrochloride | AKOS015892086...
- ABT-751 (E7010), Tubulin beta inhibitor● In Stock — US warehouse, ships to EU* Item #: A125698View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide
- SMILES
- COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O
- InChIKey
- URCVCIZFVQDVPM-UHFFFAOYSA-N
- InChI
- 1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)
- Synonyms
- DTXSID60869913 | N-[2-(4-Hydroxy-phenylamino)-pyridin-3-yl]-4-methoxy-benzenesulfonamide | CCG-264843 | CHEBI:95043 |...
- ABT-263CAS: 923564-51-6 Formula: C47H55ClF3N5O6S3 Molecular Weight: 974.61Moligand™ ? 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 #: A276560View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- show more
- SMILES
- CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C
- InChIKey
- JLYAXFNOILIKPP-KXQOOQHDSA-N
- InChI
- show more
- Synonyms
- Navitoclax | ABT263 | (R)-4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl...
- Cyclosomatostatin TFACAS: 84211-54-1(Free base) Formula: C46H58F3N7O8 Molecular Weight: 893.99Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%◐ .Made to order · 8–12 wks Item #: C275432View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- (3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-9-(1H-indol-3-ylmethyl)-3-[(1R)-1-phenylmethoxyethyl]-1,4,7,10,13-pentazacycloicosane-2,5,8,11,14-pentone
- SMILES
- CC(C1C(=O)NCCCCCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)OCC5=CC=CC=C5
- InChIKey
- YHVHQZYJGWGAKN-ZUWUZHNASA-N
- InChI
- show more
- Synonyms
- CPP1 | L-Threonine, N-(7-amino-1-oxoheptyl)-L-phenylalanyl-D-tryptophyl-L-lysyl-O-(phenylmethyl)-, (2S-(1(R*(R*)),2al...
- AS 1842856CAS: 836620-48-5 Formula: C18H22 FN3O3 Molecular Weight: 347.39● In Stock — US warehouse, ships to EU* Item #: A288204View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- 5-amino-7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
- SMILES
- CCN1C=C(C(=O)C2=C1C=C(C(=C2N)F)NC3CCCCC3)C(=O)O
- InChIKey
- MOMCHYGXXYBDCD-UHFFFAOYSA-N
- InChI
- 1S/C18H22FN3O3/c1-2-22-9-11(18(24)25)17(23)14-13(22)8-12(15(19)16(14)20)21-10-6-4-3-5-7-10/h8-10,21H,2-7,20H2,1H3,(H,24,25)
- Synonyms
- 5-Amino-7-(cyclohexylamino)-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
- AS 8351CAS: 796-42-9 Formula: C17H13N3O2 Molecular Weight: 291.3● In Stock — US warehouse, ships to EU* Item #: A288418View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
- SMILES
- C1=CC=C2C(=C1)C=CC(=C2C=NNC(=O)C3=CC=NC=C3)O
- InChIKey
- WQSHHAVECQJKLX-UHFFFAOYSA-N
- InChI
- 1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)
- Synonyms
- AS-8351 | NSC-51355
- CALP1 TFACAS: 145224-99-3(free) Formula: C42H76F3N9O12 Molecular Weight: 956.10● In Stock — US warehouse, ships to EU* Item #: C295012View ProductPricing & Pack Sizes
Technical Identifiers
- Luminol sodium saltSolid 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 #: L168455View ProductPricing & Pack Sizes
Technical Identifiers
- IUPAC Name
- sodium;8-amino-2H-phthalazin-3-ide-1,4-dione
- SMILES
- C1=CC2=C(C(=C1)N)C(=O)N[N-]C2=O.[Na+]
- InChIKey
- RVJVDCVIJCBUTH-UHFFFAOYSA-M
- InChI
- 1S/C8H7N3O2.Na/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-3H,(H4,9,10,11,12,13);/q;+1/p-1
- Synonyms
- KFG2PZR7UX | BCP13343 | o-Aminophthalylhydrazide sodium | N-[3-(3-aminopropoxy)benzyl] piperidine | (S)-(+)-7,8-Dihyd...
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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.