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 —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. Diflunisal
    CAS: 22494-42-4 EC Number: 245-034-9 Formula: C13H8F2O3 Molecular Weight: 250.2
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D422706
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    Technical Identifiers
    IUPAC Name
    5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
    SMILES
    C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O
    InChIKey
    HUPFGZXOMWLGNK-UHFFFAOYSA-N
    InChI
    1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
    Synonyms
    diflunisal|22494-42-4|Dolobid|Dolobis|Flovacil|Fluniget|Fluodonil|Adomal|Flustar|5-(2,4-Difluorophenyl)salicylic acid...
  2. Diethylene Glycol Monolaurate
    CAS: 141-20-8 Formula: C16H32O4 Molecular Weight: 288.42
    ● In Stock — US warehouse, ships to EU* Item #: D350621
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    IUPAC Name
    2-(2-hydroxyethoxy)ethyl dodecanoate
    SMILES
    CCCCCCCCCCCC(=O)OCCOCCO
    InChIKey
    WGIMXKDCVCTHGW-UHFFFAOYSA-N
    InChI
    1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-16(18)20-15-14-19-13-12-17/h17H,2-15H2,1H3
    Synonyms
    UNII-XBL949IG2F | Diethylene glycol laurate | Ethanol, 2-(2-hydroxyethoxy)-, laurate | Glaurin | NSC 3868 | 2,2'-Dihy...
  3. Diethylstilbestrol, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen-related receptor-α;Antagonist of Estrogen-related receptor-β;Antagonist of Estrogen-related receptor-γ
    CAS: 56-53-1 EC Number: 200-278-5 Formula: C18H20O2 Molecular Weight: 268.35
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D408596
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    Synonyms
    Stilbestrol | 4,​4'-​[(1E)​-​1,​2-​diethyl-​1,​2-​ethenediyl]​bis-phenol
  4. Difluprednate, Glucocorticoid receptor agonist
    CAS: 23674-86-4 EC Number: 245-815-4 PubChem CID: 443936 Formula: C27H34F2O7 Molecular Weight: 508.55
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D422776
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    Technical Identifiers
    IUPAC Name
    [(6S,8S,9R,10S,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenantshow more
    SMILES
    CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)C
    InChIKey
    WYQPLTPSGFELIB-JTQPXKBDSA-N
    InChI
    1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,show more
    Synonyms
    ETHYL OLEATE [USP-RS] | Opera_ID_1287 | 3-HEPTEN-1-YL ACETATE, (E)- | Durezol (TN) | 21-(Acetyloxy)-6,9-difluoro-11-h...
  5. Diflorasone
    CAS: 2557-49-5 EC Number: 219-875-7 PubChem CID: 71415 Formula: C22H28F2O5 Molecular Weight: 410.45
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D422892
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    Technical Identifiers
    IUPAC Name
    (6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]pheshow more
    SMILES
    CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F
    InChIKey
    WXURHACBFYSXBI-XHIJKXOTSA-N
    InChI
    1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3Hshow more
    Synonyms
    diflorasone|2557-49-5|Diflorasonum|Diflorasona|Murode|Diflorasonum [INN-Latin]|Diflorasona [INN-Spanish]|EINECS 219-8...
  6. Diflorasone
    CAS: 2557-49-5 PubChem CID: 71415 Formula: C22H28F2O5 Molecular Weight: 410.45
    ● In Stock — US warehouse, ships to EU* Item #: D336505
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    Technical Identifiers
    IUPAC Name
    (6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]pheshow more
    SMILES
    CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F
    InChIKey
    WXURHACBFYSXBI-XHIJKXOTSA-N
    InChI
    1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3Hshow more
    Synonyms
    AKOS025401541 | Diflorasonum (INN-Latin) | EN300-19744559 | (1R,2S,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1,10-di...
  7. Diethylphosphine oxide
    CAS: 7215-33-0 Formula: C₄H₁₁OP Molecular Weight: 106.1
    ● In Stock — US warehouse, ships to EU* Item #: D332476
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    Technical Identifiers
    IUPAC Name
    diethyl(oxo)phosphanium
    SMILES
    CC[P+](=O)CC
    InChIKey
    YVXVNGVYXSQARS-UHFFFAOYSA-N
    InChI
    1S/C4H10OP/c1-3-6(5)4-2/h3-4H2,1-2H3/q+1
    Synonyms
    FT-0701917 | Phosphine oxide, diethyl- | SCHEMBL1451 | GXXPZLPHLAKYLM-UHFFFAOYSA-N | SY217491 | DTXSID10457147 | DIET...
  8. Difloxacin hydrochloride
    CAS: 91296-86-5 EC Number: 688-928-8 PubChem CID: 56205 Formula: C21H19F2N3O3 · HCl Molecular Weight: 435.85
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D426888
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    Technical Identifiers
    IUPAC Name
    6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
    SMILES
    CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
    InChIKey
    JFMGBGLSDVIOHL-UHFFFAOYSA-N
    InChI
    1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H
    Synonyms
    Difluoxacin hydrochloride | ABBOTT-56619 | NSC 759646 | Pharmakon1600-01502359 | XJ0260HJ0O | 3-Quinolinecarboxylic a...
  9. Diflucortolone 21-valerate
    CAS: 59198-70-8 Formula: C27H36F2O5 Molecular Weight: 478.57
    ● In Stock — US warehouse, ships to EU* Item #: D304084
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    Technical Identifiers
    IUPAC Name
    [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17show more
    SMILES
    CCCCC(=O)OCC(=O)C1C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C
    InChIKey
    HHJIUUAMYGBVSD-YTFFSALGSA-N
    InChI
    1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,show more
    Synonyms
    6-alpha,9-Difluoro-11-beta-hydroxy-16-alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione | Diflucortolone valerate...
  10. Diflucortolone 21-valerate
    CAS: 59198-70-8 EC Number: 261-655-8 Formula: C27H36F2O5 Molecular Weight: 478.57
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D424937
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    Technical Identifiers
    IUPAC Name
    [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17show more
    SMILES
    CCCCC(=O)OCC(=O)C1C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C
    InChIKey
    HHJIUUAMYGBVSD-YTFFSALGSA-N
    InChI
    1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,show more
    Synonyms
    6-alpha,9-Difluoro-11-beta-hydroxy-16-alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione | Diflucortolone valerate...
  11. Diheptyl Disulfide
    CAS: 10496-16-9 Formula: C14H30S2 Molecular Weight: 262.51
    ◐ .Made to order · 8–12 wks Item #: D351111
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    Technical Identifiers
    IUPAC Name
    1-(heptyldisulfanyl)heptane
    SMILES
    CCCCCCCSSCCCCCCC
    InChIKey
    IFGAFLQUAVLERP-UHFFFAOYSA-N
    InChI
    1S/C14H30S2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-14H2,1-2H3
    Synonyms
    NSC 97275 | UNII-V2ULM5QWG5 | Diheptyl disulfide | DTXSID20146873 | Disulphide, diheptyl | NSC97275 | NSC-97275 | AKO...
  12. Dihydromyricetin
    CAS: 27200-12-0 Formula: C15H12O8 Molecular Weight: 320.25
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D408827
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    Synonyms
    Ampeloptin | (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
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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.
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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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