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. 6-Chloro-7-deazapurine-β-D-riboside
    CAS: 16754-80-6 EC Number: 975-191-5 Formula: C11H12ClN3O4 Molecular Weight: 285.68
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C332800
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    Technical Identifiers
    IUPAC Name
    (2R,3R,4S,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    SMILES
    C1=CN(C2=C1C(=NC=N2)Cl)C3C(C(C(O3)CO)O)O
    InChIKey
    BFDDOTZWMOKUCD-KCGFPETGSA-N
    InChI
    1S/C11H12ClN3O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2/t6-,7-,8-,11-/m1/s1
    Synonyms
    (2R,3R,4S,5R)-2-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  2. 6-Chloropicolinoyl chloride
    CAS: 80099-98-5 EC Number: 863-542-4 Formula: C6H3Cl2NO Molecular Weight: 176
    ◐ .Made to order · 8–12 wks Item #: C304680
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    IUPAC Name
    6-chloropyridine-2-carbonyl chloride
    SMILES
    C1=CC(=NC(=C1)Cl)C(=O)Cl
    InChIKey
    INDXGKMKACLIJS-UHFFFAOYSA-N
    InChI
    1S/C6H3Cl2NO/c7-5-3-1-2-4(9-5)6(8)10/h1-3H
    Synonyms
    80099-98-5|6-chloropyridine-2-carbonyl Chloride|6-chloropicolinoyl chloride|6-CHLORO-PYRIDINE-2-CARBONYL CHLORIDE|2-P...
  3. 6-Chloropyridine-3,4-dicarboxylic acid
    CAS: 243835-70-3 Formula: C7H4ClNO4 Molecular Weight: 201.57
    ● In Stock — US warehouse, ships to EU* Item #: C348878
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    IUPAC Name
    6-chloropyridine-3,4-dicarboxylic acid
    SMILES
    C1=C(C(=CN=C1Cl)C(=O)O)C(=O)O
    InChIKey
    LVQPMCFUDXELIS-UHFFFAOYSA-N
    InChI
    1S/C7H4ClNO4/c8-5-1-3(6(10)11)4(2-9-5)7(12)13/h1-2H,(H,10,11)(H,12,13)
    Synonyms
    DIMETHYL1,4-CYCLOHEXADIENE-1,2-DICARBOXYLATE | DTXSID30376260 | FT-0621017 | 3,4-Pyridinedicarboxylicacid, 6-chloro- ...
  4. 6-Chloro-α-phenyl-3-pyridazineacetonitrile
    CAS: 73535-73-6 Formula: C12H8ClN3 Molecular Weight: 229.67
    ● In Stock — US warehouse, ships to EU* Item #: C349272
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    IUPAC Name
    2-(6-chloropyridazin-3-yl)-2-phenylacetonitrile
    SMILES
    C1=CC=C(C=C1)C(C#N)C2=NN=C(C=C2)Cl
    InChIKey
    AVFQUMVXIBTANI-UHFFFAOYSA-N
    InChI
    1S/C12H8ClN3/c13-12-7-6-11(15-16-12)10(8-14)9-4-2-1-3-5-9/h1-7,10H
    Synonyms
    AKOS016044771 | J-506166 | 2-phenyl-2-(6-chloro-3-pyridazinyl)acetonitrile | AKOS002666641 | AVFQUMVXIBTANI-UHFFFAOYS...
  5. 6-Chloropyrimidin-2(1H)-one
    CAS: 80927-55-5 PubChem CID: 13244894 Formula: C4H3ClN2O Molecular Weight: 130.53
    ◐ .Made to order · 8–12 wks Item #: C304701
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    IUPAC Name
    6-chloro-1H-pyrimidin-2-one
    SMILES
    C1=C(NC(=O)N=C1)Cl
    InChIKey
    KVHNGYWHLLJFNQ-UHFFFAOYSA-N
    InChI
    1S/C4H3ClN2O/c5-3-1-2-6-4(8)7-3/h1-2H,(H,6,7,8)
    Synonyms
    KVHNGYWHLLJFNQ-UHFFFAOYSA-N | DS-4922 | 4-chloropyrimidin-2(1H)-one | chloropyrimidone | 4-Chloro-pyrimidin-2-ol | 4-...
  6. 6-Chloro-4-methyl-benzothiazol-2-ylamine
    CAS: 38338-21-5 Formula: C8H7ClN2S Molecular Weight: 198.68
    ◐ .Made to order · 8–12 wks Item #: C349541
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    IUPAC Name
    6-chloro-4-methyl-1,3-benzothiazol-2-amine
    SMILES
    CC1=CC(=CC2=C1N=C(S2)N)Cl
    InChIKey
    DBZBJLJYSYHKJO-UHFFFAOYSA-N
    InChI
    1S/C8H7ClN2S/c1-4-2-5(9)3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)
    Synonyms
    BBL020280 | 6-chloro-4-methyl-1,3-benzothiazol-2-amine | 6-chloro-4-methyl-1,3-benzothiazol-2-amine, AldrichCPR | SCH...
  7. 6-Chloro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
    CAS: 53977-19-8 Formula: C10H6ClNO3 Molecular Weight: 223.62
    ● In Stock — US warehouse, ships to EU* Item #: C349521
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    IUPAC Name
    6-chloro-4-oxo-1H-quinoline-3-carboxylic acid
    SMILES
    C1=CC2=C(C=C1Cl)C(=O)C(=CN2)C(=O)O
    InChIKey
    CDPXSMNKRFLXHU-UHFFFAOYSA-N
    InChI
    1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4H,(H,12,13)(H,14,15)
    Synonyms
    NCIOpen2_004176 | AB02612 | J-650142 | A823068 | BRD-K03391409-001-01-0 | BP-12895 | 6-chloro-4-oxo-1H-quinoline-3-ca...
  8. 6-Cyclohexylcarbamoylcyclohex-3-enecarboxylicacid
    CAS: 428841-22-9 PubChem CID: 2901796 Formula: C14H21NO3 Molecular Weight: 251.33
    ● In Stock — US warehouse, ships to EU* Item #: C348855
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    IUPAC Name
    6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
    SMILES
    C1CCC(CC1)NC(=O)C2CC=CCC2C(=O)O
    InChIKey
    MPPQLTASDYNLKZ-UHFFFAOYSA-N
    InChI
    1S/C14H21NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h4-5,10-12H,1-3,6-9H2,(H,15,16)(H,17,18)
  9. 6-Ethylquinoline
    CAS: 19655-60-8 Formula: C11H11N Molecular Weight: 157.21
    ● In Stock — US warehouse, ships to EU* Item #: E349907
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    IUPAC Name
    6-ethylquinoline
    SMILES
    CCC1=CC2=C(C=C1)N=CC=C2
    InChIKey
    VDOYSQQOKJDYDR-UHFFFAOYSA-N
    InChI
    1S/C11H11N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h3-8H,2H2,1H3
    Synonyms
    SB67641 | VDOYSQQOKJDYDR-UHFFFAOYSA-N | SCHEMBL11833 | Q63395378 | 6-Ethylquinoline | AKOS006279770 | DTXSID60343243 ...
  10. 6-FMOC-Amino-D-luciferin
    CAS: 578705-47-2 EC Number: 804-062-7 Formula: C26H19N3O4S2 Molecular Weight: 501.59
    ◐ .Made to order · 8–12 wks Item #: F276145
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    IUPAC Name
    (4S)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
    SMILES
    C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O
    InChIKey
    ZKXGWUCUGSIASJ-OAQYLSRUSA-N
    InChI
    1S/C26H19N3O4S2/c30-25(31)21-13-34-23(29-21)24-28-20-10-9-14(11-22(20)35-24)27-26(32)33-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21H,12-13Hshow more
    Synonyms
    (4S)-2-[6-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-benzothiazolyl]-4,5-dihydro-4-thiazolecarboxylicacid
  11. 6-Fluoro-2-methyl-1-indanone
    CAS: 37794-19-7 Formula: C10H9FO Molecular Weight: 164.18
    ● In Stock — US warehouse, ships to EU* Item #: F347878
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    IUPAC Name
    6-fluoro-2-methyl-2,3-dihydroinden-1-one
    SMILES
    CC1CC2=C(C1=O)C=C(C=C2)F
    InChIKey
    BABIQLUCYVRCIX-UHFFFAOYSA-N
    InChI
    1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
    Synonyms
    A7846 | OJYOOHSQOIDDOO-UHFFFAOYSA-N | 6-Fluoro-2-methyl-2,3-dihydro-1-indenone | AS-30112 | BABIQLUCYVRCIX-UHFFFAOYSA...
  12. 6-Fluoroflavone
    CAS: 1218-82-2 Formula: C15H9FO2 Molecular Weight: 240.233
    ● In Stock — US warehouse, ships to EU* Item #: F348152
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    IUPAC Name
    6-fluoro-2-phenylchromen-4-one
    SMILES
    C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)F
    InChIKey
    OUYOSBQKQPUNJK-UHFFFAOYSA-N
    InChI
    1S/C15H9FO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
    Synonyms
    Q27452474 | 6-Fluoroflavone | 1V4 | NSC93394 | NSC-93394 | 6-fluoro-2-phenyl-4h-chromen-4-one | SCHEMBL2427741 | 4H-1...
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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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