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. 15-Lipoxygenase Inhibitor I
    CAS: 928853-86-5 Formula: C16H19N5S Molecular Weight: 313.4
    ● In Stock — US warehouse, ships to EU* Item #: L334436
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    Technical Identifiers
    IUPAC Name
    4-methyl-2-(4-methylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]benzothiazine
    SMILES
    CC1=C2C(=NC(=N1)N3CCN(CC3)C)SC4=CC=CC=C4N2
    InChIKey
    HYPHGMNLWIKEMB-UHFFFAOYSA-N
    InChI
    1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3
    Synonyms
    PD020194 | DTXSID90658993 | 4-methyl-2-(4-methylpiperazin-1-yl)pyrimido[4,5-b][1,4]benzothiazine | MS-24593 | 4-Methy...
  2. 15(S)-15-methyl Prostaglandin F2α
    CAS: 35700-23-3 Formula: C21H36O5 Molecular Weight: 368.5
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: S423606
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    Technical Identifiers
    IUPAC Name
    (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
    SMILES
    CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
    InChIKey
    DLJKPYFALUEJCK-IIELGFQLSA-N
    InChI
    1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-show more
    Synonyms
    15-methyl-pgf2.alpha. | Carboprostum [INN-Latin] | 15(S)-Methylprostaglandin F2-alpha | 15-methylprostaglandin f2.alp...
  3. 15(S)-HEDE
    CAS: 92693-04-4 Formula: C20H36O3 Molecular Weight: 324.5
    ≥98% ~100ug/ml in ethanol
    ◐ .Made to order · 8–12 wks Item #: H334608
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    IUPAC Name
    (15S)-15-hydroxyicosa-11,13-dienoic acid
    SMILES
    CCCCCC(C=CC=CCCCCCCCCCC(=O)O)O
    InChIKey
    ZTRWPEHMGCHTIT-IBGZPJMESA-N
    InChI
    1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/t19-/m0/s1
    Synonyms
    Bio1_001031 | Bio1_000542 | Bio1_000053 | CBiol_001767 | DTXSID30425005 | (15S)-15-hydroxyicosa-11,13-dienoic acid | ...
  4. 13-Methyltetradecanoic acid
    CAS: 2485-71-4 EC Number: 636-731-2 Formula: C15H30O2 Molecular Weight: 242.4
    Solid ≥98%
    ◐ .Made to order · 8–12 wks Item #: M276511
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    Technical Identifiers
    IUPAC Name
    13-methyltetradecanoic acid
    SMILES
    CC(C)CCCCCCCCCCCC(=O)O
    InChIKey
    ZOCYQVNGROEVLU-UHFFFAOYSA-N
    InChI
    1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
    Synonyms
    i-C15:0 | SCHEMBL366393 | LMFA01020009 | Tetradecanoic acid, 13-methyl- | 13-Methylmyristic acid, >=98% (capillary GC...
  5. 15(S)-HETE-biotin
    CAS: 1217461-45-4 Formula: C30H48N4O4S Molecular Weight: 560.79
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95% Containing trace amounts of free biotin,100μg/ml in ethanol
    ◐ .Made to order · 8–12 wks Item #: H379634
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  6. 15(S)-HETrE
    CAS: 92693-02-2 Formula: C20H34O3 Molecular Weight: 322.48
    ≥98% 100 ug/ml in ethanol
    ● In Stock — US warehouse, ships to EU* Item #: H334613
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    Technical Identifiers
    IUPAC Name
    (15S)-15-hydroxyicosa-8,11,13-trienoic acid
    SMILES
    CCCCCC(C=CC=CCC=CCCCCCCC(=O)O)O
    InChIKey
    IUKXMNDGTWTNTP-IBGZPJMESA-N
    InChI
    1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/t19-/m0/s1
    Synonyms
    (15S)-15-hydroxyicosa-8,11,13-trienoic acid | Bio1_001037 | CBiol_001773 | Bio1_000548 | 15-(s)-hydroxy-8,11,13-eicos...
  7. 16-Dehydroprogesterone
    CAS: 1096-38-4 EC Number: 214-142-8 Formula: C21H28O2 Molecular Weight: 312.45
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D420573
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    Technical Identifiers
    IUPAC Name
    (8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
    SMILES
    CC(=O)C1=CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
    InChIKey
    VRRHHTISESGZFN-RKFFNLMFSA-N
    InChI
    1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1
    Synonyms
    16-Dehydroprogesterone|Pregna-4,16-diene-3,20-dione|1096-38-4|16,17-Didehydroprogesterone|3,20-Dioxopregna-4,16-diene...
  8. 1588-A4
    CAS: 1698027-20-1 Formula: C17H19BrClFN4O2 Molecular Weight: 445.70
    ◐ .Made to order · 8–12 wks Item #: A412361
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    IUPAC Name
    tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate
    SMILES
    CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)Br)F
    InChIKey
    WKUMTSOYOFGRSM-UHFFFAOYSA-N
    InChI
    1S/C17H19BrClFN4O2/c1-17(2,3)26-16(25)24-6-4-23(5-7-24)15-10-8-11(19)12(18)13(20)14(10)21-9-22-15/h8-9H,4-7H2,1-3H3
    Synonyms
    AC-35679 | ARS-1620 Intermediate | ARS-1620 IntermediateARS-1620 Intermediate | WKUMTSOYOFGRSM-UHFFFAOYSA-N | tert-Bu...
  9. 16-Dehydroprogesterone
    CAS: 1096-38-4 Formula: C21H28O2 Molecular Weight: 312.45
    ● In Stock — US warehouse, ships to EU* Item #: D413411
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    Technical Identifiers
    IUPAC Name
    (8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
    SMILES
    CC(=O)C1=CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
    InChIKey
    VRRHHTISESGZFN-RKFFNLMFSA-N
    InChI
    1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1
    Synonyms
    LMST02030163 | 16-Dehydroprogesterone, 97% | Temazepamum (INN-Latin) | D4,16-Pregnadiene-3,20-dione | delta.16-Proges...
  10. 16-Epi-deacetyl-fusidic Acid
    CAS: 5951-83-7 Formula: C29H46O5 Molecular Weight: 474.67
    ● In Stock — US warehouse, ships to EU* Item #: E357915
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    Technical Identifiers
    IUPAC Name
    (2E)-6-methyl-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16R)-3,11,16-trihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[show more
    SMILES
    CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)O)C)O)C
    InChIKey
    ZYPQPWJLUKNCQX-KYZYRYDDSA-N
    InChI
    1S/C29H46O5/c1-16(2)8-7-9-18(26(33)34)24-20-14-22(31)25-27(4)12-11-21(30)17(3)19(27)10-13-28(25,5)29(20,6)15-23(24)32/h8,17,19-23,25,30-32H,7,9-15H2,1show more
    Synonyms
    DTXSID90714568 | 16-Epi-deacetyl-fusidic Acid | 16-Epidesacetylfusidic acid | (2E)-6-methyl-2-[(3R,4S,5S,8S,9S,10S,11...
  11. 17-β-ESTRADIOL 3,17-DIPROPIONATE
    CAS: 113-38-2 EC Number: 204-026-5 Formula: C24H32O4 Molecular Weight: 384.52
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E420679
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    IUPAC Name
    [(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
    SMILES
    CCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CC)C
    InChIKey
    JQIYNMYZKRGDFK-RUFWAXPRSA-N
    InChI
    1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21show more
    Synonyms
    (17.beta.)-Estra-1,3,5(10)-triene-3,17-diol 3,17-dipropionate | Agofollin | CHEBI:31560 | (17beta)-estra-1(10),2,4-tr...
  12. 17a-Hydroxyprogesterone caproate, Progesterone receptor agonist
    CAS: 630-56-8 EC Number: 211-138-8 Formula: C27H40O4 Molecular Weight: 428.6
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A425196
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    Technical Identifiers
    IUPAC Name
    [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate
    SMILES
    CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C
    InChIKey
    DOMWKUIIPQCAJU-LJHIYBGHSA-N
    InChI
    1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,show more
    Synonyms
    HYDROXYPROGESTERONE CAPROATE|630-56-8|Delalutin|Primolut Depot|Hydroxyprogesterone hexanoate|Hormofort|Proge|Syngynon...
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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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