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

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. 17α-Hydroxy Progesterone
    CAS: 68-96-2 EC Number: 200-699-4 Formula: C21H30O3 Molecular Weight: 330.47
    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 #: H425532
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    IUPAC Name
    (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    SMILES
    CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O
    InChIKey
    DBPWSSGDRRHUNT-CEGNMAFCSA-N
    InChI
    1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
    Synonyms
    17alpha-Hydroxyprogesterone, >=95% | A-Hydroxyprogesterone | LP00565 | NCGC00093949-08 | 17-Hydroxypregn-4-ene-3,20-d...
  2. 1H,1H,2H,2H-Perfluorotetradecyltriethoxysilane
    CAS: 885275-56-9 Formula: C20H19F25O3Si Molecular Weight: 810.41
    ● In Stock — US warehouse, ships to EU* Item #: H378763
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    IUPAC Name
    triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
    SMILES
    CCO[Si](CCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC)OCC
    InChIKey
    CBZXLVMVIMSMCZ-UHFFFAOYSA-N
    InChI
    1S/C20H19F25O3Si/c1-4-46-49(47-5-2,48-6-3)8-7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,show more
    Synonyms
    triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane | CBZXLVMVIMS...
  3. 19-Aldoandrostenedione
    CAS: 968-49-0 Formula: C19H24O3 Molecular Weight: 300.39
    ● In Stock — US warehouse, ships to EU* Item #: A358875
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    IUPAC Name
    (8R,9S,10S,13S,14S)-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
    SMILES
    CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34C=O
    InChIKey
    XRCFMDPVHKVRDJ-BGJMDTOESA-N
    InChI
    1S/C19H24O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-16H,2-9H2,1H3/t14-,15-,16-,18-,19+/m0/s1
    Synonyms
    3,17-dioxoandrost-4-en-19-al | 19-Aldehydo-4-androstene-3,17-dione | 4-Androstene-3,17-dione-19-al | 19-Oxoandrostene...
  4. 1H,1H,11H-Perfluoroundecyl methacrylate
    CAS: 41123-44-8 Formula: C15H8F20O2 Molecular Weight: 600.2
    ● In Stock — US warehouse, ships to EU* Item #: H332153
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    IUPAC Name
    2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl 2-methylprop-2-enoate
    SMILES
    CC(=C)C(=O)OCC(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
    InChIKey
    PUCOLQDJAFBFDR-UHFFFAOYSA-N
    InChI
    1S/C15H8F20O2/c1-4(2)5(36)37-3-7(18,19)9(22,23)11(26,27)13(30,31)15(34,35)14(32,33)12(28,29)10(24,25)8(20,21)6(16)17/h6H,1,3H2,2H3
    Synonyms
    1H,1H,11H-Perfluoroundecyl methacrylate | 1h,1h,11h-eicosafluoroundecyl methacrylate | AKOS016015960 | PUCOLQDJAFBFDR...
  5. 1H,1H,2H,2H,3H,3H-Perfluoroundecyl acetate
    CAS: 150225-00-6 Formula: C13H9F17O2 Molecular Weight: 520.19
    ● In Stock — US warehouse, ships to EU* Item #: H331570
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    IUPAC Name
    4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl acetate
    SMILES
    CC(=O)OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
    InChIKey
    SMQMUBNEBGDJAY-UHFFFAOYSA-N
    InChI
    1S/C13H9F17O2/c1-5(31)32-4-2-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2-4H2,1H3
    Synonyms
    DTXSID80382073 | SMQMUBNEBGDJAY-UHFFFAOYSA-N | 1H,1H,2H,2H,3H,3H-Perfluoroundecyl acetate | A809023 | (Perfluorooctyl...
  6. 1H,1H,2H,3H-Perfluorohept-2-en-1-ol
    CAS: 72016-05-8 Formula: C7H5F9O Molecular Weight: 276.1
    ◐ .US Made to order · 2–4 wks Item #: H332098
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    IUPAC Name
    (E)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-en-1-ol
    SMILES
    C(C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
    InChIKey
    PJZRJKWUZCHGGW-OWOJBTEDSA-N
    InChI
    1S/C7H5F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-2,17H,3H2/b2-1+
    Synonyms
    1H,1H,2H,3H-Nonafluorohept-2-en-1-ol | 1H,1H,2H,3H-Perfluorohept-2-en-1-ol | (E)-4,4,5,5,6,6,7,7,7-nonafluorohept-2-e...
  7. 1H,1H,2H-Perfluorotetradec-1-ene
    CAS: 67103-05-3 Formula: C14H3F25 Molecular Weight: 646.13
    Solid ≥97%
    ◐ .Made to order · 8–12 wks Item #: H332102
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    Technical Identifiers
    IUPAC Name
    3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-1-ene
    SMILES
    C=CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
    InChIKey
    CAAQNKVBCKOIAP-UHFFFAOYSA-N
    InChI
    1S/C14H3F25/c1-2-3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h2H,1H2
    Synonyms
    1H,1H,2H-Pentacosafluorotetradec-1-ene 97% | AKOS025295616 | 1H, 1H, 2H-Perfluoro-1-tetredecene | 3,3,4,4,5,5,6,6,7,7...
  8. 1H,1H,5H-Octafluoropentyl p-toluenesulfonate
    CAS: 2264-00-8 Formula: C12H10F8O3S Molecular Weight: 386.26
    ● In Stock — US warehouse, ships to EU* Item #: H332605
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    IUPAC Name
    2,2,3,3,4,4,5,5-octafluoropentyl 4-methylbenzenesulfonate
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F
    InChIKey
    ACPMGBQCNGPAAY-UHFFFAOYSA-N
    InChI
    1S/C12H10F8O3S/c1-7-2-4-8(5-3-7)24(21,22)23-6-10(15,16)12(19,20)11(17,18)9(13)14/h2-5,9H,6H2,1H3
    Synonyms
    2,2,3,3,4,4,5,5-octafluoropentyl 4-methylbenzene-1-sulfonate | EN300-7398948 | AKOS000348955 | MANGANESE(II)LACTATETR...
  9. 19(R)-hydroxy Prostaglandin A2
    CAS: 52087-58-8 PubChem CID: 16061098 Formula: C20H30O5 Molecular Weight: 350.5
    Liquid ≥98% ~500ug/ml in ethanol
    ◐ .Made to order · 8–12 wks Item #: R356079
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    IUPAC Name
    (Z)-7-[(1R,2S)-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
    SMILES
    CC(CCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O)O
    InChIKey
    RXYQCXVUMLSFHM-HCLDBPGNSA-N
    InChI
    1S/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11-18,21-22H,3,5-10H2,1H3,(H,24,25)/b4-2-,13-11+/t15-,16+,17+,1show more
    Synonyms
    19(R)-hydroxy PGA2 | 9-oxo-15S,19R-dihydroxy-prosta-5Z,10,13E-trien-1-oic acid
  10. 1F-Fructofuranosylnystose
    CAS: 59432-60-9 EC Number: 814-756-1 PubChem CID: 3085157 Formula: C30H52O26 Molecular Weight: 828.72
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: F424951
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    Technical Identifiers
    IUPAC Name
    (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4show more
    SMILES
    C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)O
    InChIKey
    QNTKVQQLMHZOKP-NEJDVEAASA-N
    InChI
    1S/C30H52O26/c31-1-10-15(37)20(42)21(43)26(51-10)56-30(25(47)19(41)14(5-35)55-30)9-50-29(24(46)18(40)13(4-34)54-29)8-49-28(23(45)17(39)12(3-33)53-28)7show more
    Synonyms
    Q27237281 | Hex-2-ulofuranosyl-(2->1)hex-2-ulofuranosyl-(2->1)hex-2-ulofuranosyl-(2->1)hex-2-ulofuranosyl hexopyranos...
  11. 1H,1H,13H-Perfluorotridecan-1-ol
    CAS: 423-72-3 Formula: C13H4F24O Molecular Weight: 632.14
    ● In Stock — US warehouse, ships to EU* Item #: H332933
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    Technical Identifiers
    IUPAC Name
    2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol
    SMILES
    C(C(C(C(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
    InChIKey
    LNNWSUTUIVJKDJ-UHFFFAOYSA-N
    InChI
    1S/C13H4F24O/c14-2(15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)13(36,37)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)1-38/h2,38H,1H2
    Synonyms
    DTXSID50336144 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol | 2,2,3,3,4,4,5...
  12. 1H-Indole-d5-3-acetamide
    CAS: 1204700-53-7 Formula: C10H5D5N2O Molecular Weight: 179.23
    ● In Stock — US warehouse, ships to EU* Item #: H358585
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    Technical Identifiers
    IUPAC Name
    2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)acetamide
    SMILES
    C1=CC=C2C(=C1)C(=CN2)CC(=O)N
    InChIKey
    ZOAMBXDOGPRZLP-SNOLXCFTSA-N
    InChI
    1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)/i1D,2D,3D,4D,6D
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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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