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. 2-Bromo-7-Iodo-9,9-Dimethylfluorene
    CAS: 319906-45-1 EC Number: 878-968-6 Formula: C15H12BrI Molecular Weight: 399.06
    ● In Stock — US warehouse, ships to EU* Item #: B303428
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    Technical Identifiers
    IUPAC Name
    2-bromo-7-iodo-9,9-dimethylfluorene
    SMILES
    CC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)I)C
    InChIKey
    LOXUVZPMEXKUEJ-UHFFFAOYSA-N
    InChI
    1S/C15H12BrI/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
    Synonyms
    SY102741 | F20846 | FT-0658616 | AC-5816 | LOXUVZPMEXKUEJ-UHFFFAOYSA-N | MFCD12024277 | 2-BROMO-7-IODO-9,9-D | 2-BROM...
  2. 2-Chloro-5-nitronicotinamide
    CAS: 60524-15-4 EC Number: 968-572-2 Formula: C6H4ClN3O3 Molecular Weight: 201.57
    ◐ .Made to order · 8–12 wks Item #: C304116
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    IUPAC Name
    2-chloro-5-nitropyridine-3-carboxamide
    SMILES
    C1=C(C=NC(=C1C(=O)N)Cl)[N+](=O)[O-]
    InChIKey
    ISGBAOSZUCMBKK-UHFFFAOYSA-N
    InChI
    1S/C6H4ClN3O3/c7-5-4(6(8)11)1-3(2-9-5)10(12)13/h1-2H,(H2,8,11)
    Synonyms
    2-chloro-5-nitronicotinamide | DTXSID10209269 | AM20061369 | 2-chloro-5-nitropyridine-3-carboxamide | SCHEMBL801045 |...
  3. 2-D08
    CAS: 144707-18-6 EC Number: 808-530-1 Formula: C15H10O5 Molecular Weight: 270.24
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D421647
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    IUPAC Name
    2-(2,3,4-trihydroxyphenyl)chromen-4-one
    SMILES
    C1=CC=C2C(=C1)C(=O)C=C(O2)C3=C(C(=C(C=C3)O)O)O
    InChIKey
    JJAXTFSPCLZPIW-UHFFFAOYSA-N
    InChI
    1S/C15H10O5/c16-10-6-5-9(14(18)15(10)19)13-7-11(17)8-3-1-2-4-12(8)20-13/h1-7,16,18-19H
    Synonyms
    PD044048 | HY-114166 | SCHEMBL1772778 | D82631 | 2-(2,3,4-Trihydroxyphenyl)-4H-chromen-4-one | BCP18314 | AMY31051 | ...
  4. 2-Ethyl-5-methylpyrazine
    CAS: 13360-64-0 EC Number: 236-416-6 Formula: C7H10N2 Molecular Weight: 122.17
    ≥98% mixture of 2-Ethyl-5-methylpyrazine and 2-ethyl-6-methylpyrazine
    ● In Stock — US warehouse, ships to EU* Item #: E302421
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    Technical Identifiers
    IUPAC Name
    2-ethyl-5-methylpyrazine
    SMILES
    CCC1=NC=C(N=C1)C
    InChIKey
    OXCKCFJIKRGXMM-UHFFFAOYSA-N
    InChI
    1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
    Synonyms
    2-ETHYL-5-METHYLPYRAZINE|13360-64-0|Pyrazine, 2-ethyl-5-methyl-|2-Methyl-5-ethylpyrazine|5-ethyl-2-methylpyrazine|2-E...
  5. 2-Deoxy-D-glucose (2-DG)
    CAS: 154-17-6 EC Number: 205-823-0 Formula: C6H12O5 Molecular Weight: 164.16
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D408100
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    Synonyms
    2-deoxyglucose, NSC 15193, 2-Deoxy-D-arabino-hexose, D-Arabino-2-deoxyhexose | D-​arabino-​Hexose, 2-​deoxy-
  6. 2-Hydroxy-3-nitroacetophenone
    CAS: 28177-69-7 Formula: C8H7NO4 Molecular Weight: 181.14
    ● In Stock — US warehouse, ships to EU* Item #: H303322
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    IUPAC Name
    1-(2-hydroxy-3-nitrophenyl)ethanone
    SMILES
    CC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
    InChIKey
    XQZGSPSZLMKODN-UHFFFAOYSA-N
    InChI
    1S/C8H7NO4/c1-5(10)6-3-2-4-7(8(6)11)9(12)13/h2-4,11H,1H3
    Synonyms
    Ethanone, 1-(2-hydroxy-3-nitrophenyl)- | MFCD02683784 | XQZGSPSZLMKODN-UHFFFAOYSA-N | NSC 111935 | FT-0690616 | 2-hyd...
  7. 2-Hydroxy-N-(4-hydroxyphenyl)-benzamide
    CAS: 526-18-1 Formula: C13H11NO3 Molecular Weight: 229.238
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: H424515
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    IUPAC Name
    2-hydroxy-N-(4-hydroxyphenyl)benzamide
    SMILES
    C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O
    InChIKey
    LGCMKPRGGJRYGM-UHFFFAOYSA-N
    InChI
    1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)
    Synonyms
    2-Hydroxy-N-(4-hydroxyphenyl)benzamide | 4'-Hydroxysalicylanilide | Osalmide | Oxaphenamide | p-hydroxyphenylsalicyla...
  8. 2-Furoyl-LIGRLO-amide TFA
    CAS: 729589-58-6 Formula: C36H63N11O8 · xC2HF3O2 Molecular Weight: 777.95 (free base basis)
    ● In Stock — US warehouse, ships to EU* Item #: F275556
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    IUPAC Name
    N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-show more
    SMILES
    CCC(C)C(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C1=CC=CO1
    InChIKey
    OSKIRYSKGDEIOG-WTWMNNMUSA-N
    InChI
    1S/C36H63N11O8/c1-7-22(6)29(47-33(52)26(18-21(4)5)46-34(53)27-13-10-16-55-27)35(54)42-19-28(48)43-24(12-9-15-41-36(39)40)31(50)45-25(17-20(2)3)32(51)4show more
    Synonyms
    2-Furoyl-LIGRLO-amide | 2-Fly | 2-f-LIGRLO-NH2 | 2-fAP | 2fLI
  9. 2-Hydroxy-4-methylvaleric Acid
    CAS: 10303-64-7 EC Number: 233-677-8 Formula: C6H12O3 Molecular Weight: 132.16
    ◐ .Made to order · 8–12 wks Item #: H302104
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    Technical Identifiers
    IUPAC Name
    2-hydroxy-4-methylpentanoic acid
    SMILES
    CC(C)CC(C(=O)O)O
    InChIKey
    LVRFTAZAXQPQHI-UHFFFAOYSA-N
    InChI
    1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
    Synonyms
    A827869 | LEUCIC ACID, (+/-)- | (+/-)-2-HYDROXYISOCAPROIC ACID | 4-cyclopropylpiperazine | DTXSID80862047 | bmse00033...
  10. 2-Hydroxy-5-methoxy-3-undecyl-[1,4]benzoquinone
    CAS: 56005-10-8 Formula: C18H28O4 Molecular Weight: 308.418
    ◐ .Made to order · 8–12 wks Item #: H391098
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    IUPAC Name
    2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione
    SMILES
    CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O
    InChIKey
    KHBJLRRAMCJZLZ-UHFFFAOYSA-N
    InChI
    1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
    Synonyms
    HY-W510159 | 4H3R9623BA | 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-undecyl- | 2-hydroxy-5-methoxy-3-undecy...
  11. 2-Hydroxyeicosanoic acid
    CAS: 16742-48-6 Formula: C20H40O3 Molecular Weight: 328.53
    ● In Stock — US warehouse, ships to EU* Item #: H275961
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    IUPAC Name
    2-hydroxyicosanoic acid
    SMILES
    CCCCCCCCCCCCCCCCCCC(C(=O)O)O
    InChIKey
    CPLYLXYEVLGWFJ-UHFFFAOYSA-N
    InChI
    1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
    Synonyms
    2-hydroxyarachidic acid | Eicosanoic acid, 2-hydroxy- | hydroxyeicosanoic acid | 2-Hydroxy arachidic acid | LMFA01050...
  12. 2-Guanidinoethylmercaptosuccinic acid (GEMSA)
    CAS: 77482-44-1 PubChem CID: 3464 Formula: C7H13N3O4S Molecular Weight: 235.26
    ◐ .Made to order · 8–12 wks Item #: G274649
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    IUPAC Name
    2-[2-(diaminomethylideneamino)ethylsulfanyl]butanedioic acid
    SMILES
    C(CSC(CC(=O)O)C(=O)O)N=C(N)N
    InChIKey
    VKVCLXDFOQQABP-UHFFFAOYSA-N
    InChI
    1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)
    Synonyms
    gemsa | BDBM50296412 | SCHEMBL1765999 | 2-GUANIDINOETHYLMERCAPTOSUCCINIC ACID | guanidinoethylmercaptosuccinic acid |...
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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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