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).

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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

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 (where available)—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. Hydrocortisone 21-acetate, Glucocorticoid receptor agonist
    CAS: 50-03-3 EC Number: 200-004-4 Formula: C23H32O6 Molecular Weight: 404.5
    ● In Stock — US Item #: H102192
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    IUPAC Name
    [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]show more
    SMILES
    CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
    InChIKey
    ALEXXDVDDISNDU-JZYPGELDSA-N
    InChI
    1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,show more
    Synonyms
    Hyderm | Hydrocortisat | Cortef acetate | UNII-3X7931PO74 | Urecortyn | Hydrocortison | Epifoam | Hydrin-2 | Cortell ...
  2. Hydrocortisone 21-hemisuccinate sodium salt, Glucocorticoid receptor agonist
    CAS: 125-04-2 EC Number: 204-725-5 Formula: C25H33NaO8 Molecular Weight: 484.51
    Solid 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 #: H329245
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    IUPAC Name
    sodium;4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-show more
    SMILES
    CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)[O-])O)C)O.[Na+]
    InChIKey
    HHZQLQREDATOBM-CODXZCKSSA-M
    InChI
    1S/C25H34O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h11,16-18,22,27,32H,3-10,12-13Hshow more
    Synonyms
    C08178 | Idrocortisone B. I. L. | H 2270 | Hydrocortisone 21-sodium succinate | Hydrocortisone sodium succinate (USP:...
  3. JNJ-38877605, Hepatocyte growth factor receptor inhibitor
    CAS: 943540-75-8 Formula: C19H13F2N7 Molecular Weight: 377.35
    ● In Stock — US Item #: J126347
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    IUPAC Name
    6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
    SMILES
    CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2
    InChIKey
    JRWCBEOAFGHNNU-UHFFFAOYSA-N
    InChI
    1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3
    Synonyms
    SB16606 | CCG-264826 | 6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline | ...
  4. JNK-IN-7
    CAS: 1408064-71-0 Formula: C28H27N7O2 Molecular Weight: 493.56
    ● In Stock — US Item #: J124921
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    IUPAC Name
    3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    SMILES
    CN(C)CC=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN=CC=C4
    InChIKey
    RADRIIWGHYFWPP-WEVVVXLNSA-N
    InChI
    1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2show more
    Synonyms
    JNK inhibitor | 3-((4-(dimethylamino)-1-oxo-2-buten-1-yl)amino)-n-(4-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)ben...
  5. Sulfo-Cyanine5 NHS ester
    CAS: 2230212-27-6 PubChem CID: 118987356 Formula: C36H40N3KO10S2 Molecular Weight: 777.94
    Solid ≥95%
    ● In Stock — US Item #: S276215
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    IUPAC Name
    sodium;1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-2-[5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sushow more
    SMILES
    CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)ON5C(=O)CCC5=O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[Na+]
    InChIKey
    JYLBFAAZKFROET-UHFFFAOYSA-M
    InChI
    1S/C36H41N3O10S2.Na/c1-35(2)26-22-24(50(43,44)45)15-17-28(26)37(5)30(35)12-8-6-9-13-31-36(3,4)27-23-25(51(46,47)48)16-18-29(27)38(31)21-11-7-10-14-34(show more
  6. Sulfo-Cyanine5 carboxylic acid
    CAS: 1144107-82-3 PubChem CID: 25228517 Formula: C32H37KN2O8S2 Molecular Weight: 680.87
    ◐ .Made to order · 8–12 wks Item #: S276037
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    IUPAC Name
    potassium;(2E)-1-(5-carboxypentyl)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
    SMILES
    CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[K+]
    InChIKey
    ADTLWAAMVPCPTC-UHFFFAOYSA-M
    InChI
    1S/C32H38N2O8S2.K/c1-31(2)24-20-22(43(37,38)39)15-17-26(24)33(5)28(31)12-8-6-9-13-29-32(3,4)25-21-23(44(40,41)42)16-18-27(25)34(29)19-11-7-10-14-30(35show more
  7. Tosufloxacin tosylate (T 3262)
    CAS: 115964-29-9 PubChem CID: 93858 Formula: C19H15F3N4O3.C7H8O3S Molecular Weight: 576.55
    ◐ .Made to order · 8–12 wks Item #: T274962
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    IUPAC Name
    7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F
    InChIKey
    CSSQVOKOWWIUCX-UHFFFAOYSA-N
    InChI
    1S/C19H15F3N4O3.C7H8O3S/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-6,8show more
    Synonyms
    TOSUFLOXACIN TOSILATE [WHO-DD] | Tox21_112533 | Tosufloxacin 100 microg/mL in Acetonitrile | Tox21_112533_1 | Tosuflo...
  8. Hormaomycin
    CAS: 121548-21-8 PubChem CID: 101249323 Formula: C55H69N10O14Cl Molecular Weight: 1129.65
    ◐ .Made to order · 8–12 wks Item #: H275296
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    IUPAC Name
    N-[1-[[3-butan-2-yl-16-methyl-9-[(2-nitrocyclopropyl)methyl]-2,5,8,11,14,18-hexaoxo-6,12-bis(1-phenylethyl)-21-[(E)-prop-1-enyl]-17-oxa-1,4,7,10,13-peshow more
    SMILES
    CCC(C)C1C(=O)N2CC(CC2C(=O)OC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C3=CC=CC=C3)CC4CC4[N+](=O)[O-])C(C)C5=CC=CC=C5)NC(=O)C(CC6CC6[N+](=O)[O-])NC(=O)C7=show more
    InChIKey
    YOUXQVRIWHZWQN-VIZOYTHASA-N
    InChI
    1S/C55H69ClN10O14/c1-7-15-32-22-42-55(74)80-31(6)47(62-49(68)37(23-35-25-40(35)65(76)77)57-50(69)39-20-21-43(56)64(39)75)53(72)61-45(29(4)33-16-11-9-1show more
  9. JS-K
    CAS: 205432-12-8 Formula: C13H16N6O8 Molecular Weight: 384.30
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%
    ● In Stock — US Item #: J331370
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    IUPAC Name
    (Z)-(2,4-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
    SMILES
    CCOC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]
    InChIKey
    DNJRNBYZLPKSHV-RGEXLXHISA-N
    InChI
    1S/C13H16N6O8/c1-2-26-13(20)15-5-7-16(8-6-15)19(25)14-27-12-4-3-10(17(21)22)9-11(12)18(23)24/h3-4,9H,2,5-8H2,1H3/b19-14-
    Synonyms
    NCGC00165815-08 | SDCCGSBI-0633737.P001 | NCGC00164092-01 | JS-K, >=97% | NCGC00261300-01 | Tox21_500615 | 5-(3-Chinu...
  10. Sulfo-Cyanine5 maleimide
    CAS: 2242791-82-6 PubChem CID: 164577426 Formula: C38H43KN4O9S2 Molecular Weight: 787
    ◐ .Made to order · 8–12 wks Item #: S275842
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    Technical Identifiers
    SMILES
    CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)NCCN5C(=O)C=CC5=O)C=CC(=C4)S(=O)[O-])(C)C)C)C.[K]
    InChIKey
    MUJICOXXYOQKOP-UHFFFAOYSA-M
    InChI
    1S/C38H44N4O8S2.K/c1-37(2)29-25-27(52(48,49)50)16-18-30(29)40(5)32(37)12-8-6-9-13-33-38(3,4)28-24-26(51(46)47)15-17-31(28)41(33)22-11-7-10-14-34(43)39show more
  11. Sulfo-Cyanine7 NHS ester
    CAS: 1603861-95-5 PubChem CID: 164577449 Formula: C41H46N3KO10S2 Molecular Weight: 844.05
    ◐ .Made to order · 8–12 wks Item #: S276226
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    Technical Identifiers
    SMILES
    CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC3=CC(=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)C)C.[K]
    InChIKey
    SLDRNWPKTBNSQD-UHFFFAOYSA-N
    InChI
    1S/C41H47N3O10S2.K/c1-40(2)31-25-29(55(48,49)50)15-17-33(31)42(5)35(40)19-13-27-10-9-11-28(24-27)14-20-36-41(3,4)32-26-30(56(51,52)53)16-18-34(32)43(3show more
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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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