By Target / Pathway / Disease

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).

136,942 products

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

Navigate 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

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PROTAC 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.

Explore 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.

Find 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.

Shop 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.

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  1. 1-Adamantylamine, Channel blocker of GluN2A;Channel blocker of GluN2B;Channel blocker of GluN2C;Channel blocker of GluN2D
    CAS: 768-94-5 EC Number: 212-201-2 Formula: C10H17N Molecular Weight: 151.25
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A425890
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    Technical Identifiers
    IUPAC Name
    adamantan-1-amine
    SMILES
    C1C2CC3CC1CC(C2)(C3)N
    InChIKey
    DKNWSYNQZKUICI-UHFFFAOYSA-N
    InChI
    1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
    Synonyms
    amantadine|1-Adamantanamine|768-94-5|adamantan-1-amine|1-Adamantylamine|1-Aminoadamantane|Adamantanamine|Adamantylami...
  2. 1-Allylcyclopropane-1-sulfonyl Chloride
    CAS: 923032-59-1 EC Number: 854-763-7 Formula: C6H9ClO2S Molecular Weight: 180.65
    ● In Stock — US warehouse, ships to EU* Item #: A339715
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    IUPAC Name
    1-prop-2-enylcyclopropane-1-sulfonyl chloride
    SMILES
    C=CCC1(CC1)S(=O)(=O)Cl
    InChIKey
    AQYNREAFYINZPS-UHFFFAOYSA-N
    InChI
    1S/C6H9ClO2S/c1-2-3-6(4-5-6)10(7,8)9/h2H,1,3-5H2
    Synonyms
    AQYNREAFYINZPS-UHFFFAOYSA-N | DTXSID00657735 | 1-allyl-cyclopropane sulfonyl chloride | EN300-275901 | Q-100969 | 1-a...
  3. 1-BCP
    CAS: 34023-62-6 Formula: C13H15NO3 Molecular Weight: 233.26
    ● In Stock — US warehouse, ships to EU* Item #: B356586
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    IUPAC Name
    1,3-benzodioxol-5-yl(piperidin-1-yl)methanone
    SMILES
    C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3
    InChIKey
    BXBNADAPIHHXJQ-UHFFFAOYSA-N
    InChI
    1S/C13H15NO3/c15-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)17-9-16-11/h4-5,8H,1-3,6-7,9H2
    Synonyms
    J-019425 | AI3-01460 | Q27188679 | HMS3676C13 | N-(3,4-Methylenedioxybenzoyl)piperidine | DTXSID10187634 | EN300-1700...
  4. 1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylicAcid
    CAS: 70684-84-3 EC Number: 844-517-7 Formula: C11H17NO4 Molecular Weight: 227.26
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: B357206
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    IUPAC Name
    1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
    SMILES
    CC(C)(C)OC(=O)N1CCC(=CC1)C(=O)O
    InChIKey
    XMOGRJIQFWJZDG-UHFFFAOYSA-N
    InChI
    1S/C11H17NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h4H,5-7H2,1-3H3,(H,13,14)
    Synonyms
    AMY32013 | EN300-97515 | 1-boc-4-carboxy-3,4-didehydropiperidine | AB91329 | 1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahyd...
  5. 1-Aminohydantoin Hydrochloride
    CAS: 2827-56-7 Formula: C3H5N3O2·HCl Molecular Weight: 151.55
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: A422989
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    IUPAC Name
    1-aminoimidazolidine-2,4-dione;hydrochloride
    SMILES
    C1C(=O)NC(=O)N1N.Cl
    InChIKey
    WEOHANUVLKERQI-UHFFFAOYSA-N
    InChI
    1S/C3H5N3O2.ClH/c4-6-1-2(7)5-3(6)8;/h1,4H2,(H,5,7,8);1H
    Synonyms
    Broact | WEOHANUVLKERQI-UHFFFAOYSA-N | 1-Amino hydantoin hydrochloride | 5-HYDROXYDOPAMINEHYDROCHLORIDE | A819399 | A...
  6. 1-BCP
    CAS: 34023-62-6 Formula: C13H15NO3 Molecular Weight: 233.26
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B423477
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    Technical Identifiers
    IUPAC Name
    1,3-benzodioxol-5-yl(piperidin-1-yl)methanone
    SMILES
    C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3
    InChIKey
    BXBNADAPIHHXJQ-UHFFFAOYSA-N
    InChI
    1S/C13H15NO3/c15-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)17-9-16-11/h4-5,8H,1-3,6-7,9H2
    Synonyms
    J-019425 | AI3-01460 | Q27188679 | HMS3676C13 | N-(3,4-Methylenedioxybenzoyl)piperidine | DTXSID10187634 | EN300-1700...
  7. 1-Dodecyl-3-Methylimidazolium Hexafluorophosphate
    CAS: 219947-93-0 EC Number: 801-470-7 PubChem CID: 10250129 Formula: C16H31F6N2P Molecular Weight: 396.39
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: D303070
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    Technical Identifiers
    IUPAC Name
    1-dodecyl-3-methylimidazol-3-ium;hexafluorophosphate
    SMILES
    CCCCCCCCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
    InChIKey
    MPHALGYBTKGJEV-UHFFFAOYSA-N
    InChI
    1S/C16H31N2.F6P/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-7(2,3,4,5)6/h14-16H,3-13H2,1-2H3;/q+1;-1
    Synonyms
    1-dodecyl-3-methyl-1H-imidazol-3-ium; hexafluoro--phosphanuide | 1-Dodecyl-3-methylimidazolium hexafluorophosphate | ...
  8. 1-Dodecylpyridin-1-ium chloride hydrate
    CAS: 139549-68-1 EC Number: 959-451-5 Formula: C17H32ClNO Molecular Weight: 301.9
    ◐ .Made to order · 8–12 wks Item #: D302805
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    Technical Identifiers
    IUPAC Name
    1-dodecylpyridin-1-ium;chloride;hydrate
    SMILES
    CCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]
    InChIKey
    BDGGUWSWAKGEGH-UHFFFAOYSA-M
    InChI
    1S/C17H30N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H;1H2/q+1;;/p-1
    Synonyms
    1-Dodecylpyridinium chloride hydrate, 98% | FT-0715862 | 1-Dodecylpyridinium chloride hydrate,98 % | MFCD00150002 | 1...
  9. 1-Ethyl-2,3-Dimethylimidazolium Tetrafluoroborate
    CAS: 307492-75-7 EC Number: 801-297-7 PubChem CID: 21977262 Formula: C7H13BF4N2 Molecular Weight: 212
    Solid ≥99%
    ● In Stock — Germany Item #: E303395
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    Technical Identifiers
    IUPAC Name
    1-ethyl-2,3-dimethylimidazol-3-ium;tetrafluoroborate
    SMILES
    [B-](F)(F)(F)F.CCN1C=C[N+](=C1C)C
    InChIKey
    KNIWGPCMWBGRBE-UHFFFAOYSA-N
    InChI
    1S/C7H13N2.BF4/c1-4-9-6-5-8(3)7(9)2;2-1(3,4)5/h5-6H,4H2,1-3H3;/q+1;-1
    Synonyms
    307492-75-7|1-ETHYL-2,3-DIMETHYLIMIDAZOLIUM TETRAFLUOROBORATE|1-Ethyl-2,3-dimethyl-1H-imidazol-3-ium tetrafluoroborat...
  10. 1-Ethyl-3-MethyliMidazoliuMHydrogenSulfate
    CAS: 674282-83-8 Formula: C6H12N2O4S Molecular Weight: 208.235
    Liquid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E304343
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    Technical Identifiers
    IUPAC Name
    1-ethyl-3-methylimidazol-3-ium;hydrogen sulfate
    SMILES
    CCN1C=C[N+](=C1)C.OS(=O)(=O)[O-]
    InChIKey
    HZKDSQCZNUUQIF-UHFFFAOYSA-M
    InChI
    1S/C6H11N2.H2O4S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
    Synonyms
    SCHEMBL479201 | NCGC00260190-01 | FT-0715321 | Tox21_202642 | 1-methyl-3-ethylimidazolium hydrogensulfate | 1-Ethyl-3...
  11. 1-Methyl-3-octyl-1H-imidazolium salt with bis[(trifluoromethyl)sulfonyl]methane
    CAS: 916729-96-9 PubChem CID: 121225761 Formula: C15H24F6N2O4S22 Molecular Weight: 474.5
    ● In Stock — US warehouse, ships to EU* Item #: H304966
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    Technical Identifiers
    IUPAC Name
    1-methyl-3-octylimidazol-1-ium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
    SMILES
    CCCCCCCCN1C=C[N+](=C1)C.[CH-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
    InChIKey
    NXPDVDJZADEBDB-UHFFFAOYSA-N
    InChI
    1S/C12H23N2.C3HF6O4S2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;4-2(5,6)14(10,11)1-15(12,13)3(7,8)9/h10-12H,3-9H2,1-2H3;1H/q+1;-1
  12. 1-Methyl-3-nitro-1-nitrosoguanidine
    CAS: 70-25-7 EC Number: 200-730-1 Formula: C2H5N5O3 Molecular Weight: 147.09
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: M425595
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    Technical Identifiers
    IUPAC Name
    1-methyl-3-nitro-1-nitrosoguanidine
    SMILES
    CN(C(=N)N[N+](=O)[O-])N=O
    InChIKey
    VZUNGTLZRAYYDE-UHFFFAOYSA-N
    InChI
    1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
    Synonyms
    MNNG | N-Nitroso-N'-nitro-N-methylguanidine | RCRA waste number U163 | 3-methyl-1-nitro-3-nitrosoguanidine | BSPBio_0...
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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.

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