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

2,814

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. Capecitabine (RO 09-1978), Thymidylate synthase inhibitor
    CAS: 154361-50-9 Formula: C15H22FN3O6 Molecular Weight: 359.35
    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 #: C407856
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    Synonyms
    pentyl 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate
  2. Capsorubin
    CAS: 470-38-2 PubChem CID: 5281229 Formula: C40H56O4 Molecular Weight: 600.87
    ◐ .Made to order · 8–12 wks Item #: C347188
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    IUPAC Name
    (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,2show more
    SMILES
    CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C1(CC(CC1(C)C)O)C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C
    InChIKey
    GVOIABOMXKDDGU-YUURSNASSA-N
    InChI
    1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,3show more
    Synonyms
    UNII-805VAB3L0H | DTXSID901018116 | CHEBI:3378 | AKOS040754968 | (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-Bis((1R,4S)-4...
  3. Canrenone, Mineralocorticoid receptor antagonist
    CAS: 976-71-6 EC Number: 213-554-5 Formula: C22H28O3 Molecular Weight: 340.47
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C305049
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    IUPAC Name
    (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
    SMILES
    CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C
    InChIKey
    UJVLDDZCTMKXJK-WNHSNXHDSA-N
    InChI
    1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/show more
    Synonyms
    Aldadiene | AKOS005622473 | (1'S,2R,2'R,10'R,11'S,15'S)-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^{2,7}.0...
  4. Cantharidic acid
    CAS: 28874-45-5 EC Number: 636-687-4 Formula: C10H14O5 Molecular Weight: 214.21
    ◐ .Made to order · 8–12 wks Item #: C275687
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    IUPAC Name
    (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
    SMILES
    CC1(C2CCC(C1(C)C(=O)O)O2)C(=O)O
    InChIKey
    NMTNUQBORQILRK-XCVPVQRUSA-N
    InChI
    1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10-
    Synonyms
    (1r,2s,3r,4s)-2,3-Dimethyl-7-Oxabicyclo[2.2.1]heptane-2,3-Dicarboxylic Acid
  5. Capivasertib (AZD5363), Serine/threonine-protein kinase AKT inhibitor
    CAS: 1143532-39-1 EC Number: 682-662-6 Formula: C21H25ClN6O2 Molecular Weight: 428.92
    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 #: C408664
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    Synonyms
    4-Piperidinecarboxamide, 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-
  6. Capmatinib (INCB28060), Hepatocyte growth factor receptor inhibitor
    CAS: 1029712-80-8 EC Number: 813-241-9 Formula: C23H17FN6O Molecular Weight: 412.42
    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 #: C408636
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    Synonyms
    INC280, NVP-INC280 | 2-fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide
  7. Carbazochrome sodium sulfonate (AC-17)
    CAS: 51460-26-5 Formula: C10H11N4NaO5S Molecular Weight: 322.27
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C408342
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    Synonyms
    sodium (Z)-5-(2-carbamoylhydrazono)-1-methyl-6-oxo-2,3,5,6-tetrahydro-1H-indole-2-sulfonate
  8. Carbazochrome sodium sulfonate (AC-17)
    CAS: 51460-26-5 Formula: C10H11N4NaO5S Molecular Weight: 322.27
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C129368
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    IUPAC Name
    sodium;5-(carbamoyldiazenyl)-6-hydroxy-1-methyl-2,3-dihydroindole-2-sulfonate
    SMILES
    CN1C(CC2=CC(=C(C=C21)O)N=NC(=O)N)S(=O)(=O)[O-].[Na+]
    InChIKey
    PDZKPUQLQNDXMQ-UHFFFAOYSA-M
    InChI
    1S/C10H12N4O5S.Na/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;/h2,4,9,15H,3H2,1H3,(H2,11,16)(H,17,18,19);/q;+1/p-1
    Synonyms
    CarbazochromesodiumSulfonate | FT-0663120 | MEGxp0_001898 | 5-[(aminocarbonyl)hydrazono]-2,3,5,6-tetrahydro-1-methyl-...
  9. Carboprost tromethamine, Prostanoid FP receptor agonist
    CAS: 58551-69-2 EC Number: 638-806-5 PubChem CID: 5281074 Formula: C25H47NO8 Molecular Weight: 489.64
    Solid ≥98%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: C288595
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    IUPAC Name
    2-amino-2-(hydroxymethyl)propane-1,3-diol;(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.C(C(CO)(CO)N)O
    InChIKey
    UMMADZJLZAPZAW-XOWPVRJPSA-N
    InChI
    1S/C21H36O5.C4H11NO3/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;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13show more
    Synonyms
    (15S)-15-METHYLPROSTAGLANDIN F(SUB 2.ALPHA.) TROMETHAMINE | 2-Amino-2-(hydroxymethyl)propane-1,3-diol (Z)-7-((1R,2R,3...
  10. Carbonyl cyanide 3-chlorophenylhydrazone
    CAS: 555-60-2 EC Number: 209-103-7 Formula: C9H5ClN4 Molecular Weight: 204.62
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C424728
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    IUPAC Name
    2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
    SMILES
    C1=CC(=CC(=C1)Cl)NN=C(C#N)C#N
    InChIKey
    UGTJLJZQQFGTJD-UHFFFAOYSA-N
    InChI
    1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H
    Synonyms
    UNII-4D4NW27CG5 | ((3-Chlorophenyl)hydrazono)malononitrile | (3-Chlorophenyl)carbonohydrazonoyl dicyanide | (3-Chloro...
  11. Carbonyl cyanide 4-(trifluoromethoxy)phenylhydrazone
    CAS: 370-86-5 EC Number: 206-730-8 Formula: CF3OC6H4NHN=C(CN)2 Molecular Weight: 254.17
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C423663
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    IUPAC Name
    2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
    SMILES
    C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F
    InChIKey
    BMZRVOVNUMQTIN-UHFFFAOYSA-N
    InChI
    1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H
    Synonyms
    Mesoxalonitrile, (p-(trifluoromethoxy)phenyl)hydrazone | SR-01000645014-2 | [4-(Trifluoromethoxy)phenylhydrazono]malo...
  12. Carbetapentane
    CAS: 77-23-6 EC Number: 201-014-1 Formula: C20H31NO3 Molecular Weight: 333.47
    ● In Stock — US warehouse, ships to EU* Item #: C339602
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    IUPAC Name
    2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
    SMILES
    CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2
    InChIKey
    CFJMRBQWBDQYMK-UHFFFAOYSA-N
    InChI
    1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
    Synonyms
    Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester | MS-25033 | PENTOXYVERINE [WHO-DD] | S...
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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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