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

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-(Phosphonooxy)benzoic Acid [for Biochemical Research]
    CAS: 6064-83-1 EC Number: 227-993-5 PubChem CID: 3418 Formula: C7H7O6P Molecular Weight: 218.1
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: P425023
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    Technical Identifiers
    IUPAC Name
    2-phosphonooxybenzoic acid
    SMILES
    C1=CC=C(C(=C1)C(=O)O)OP(=O)(O)O
    InChIKey
    FFKUDWZICMJVPA-UHFFFAOYSA-N
    InChI
    1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
    Synonyms
    Spectrum5_001180 | HMS3714D11 | AB00052254 | FOSFOSAL [MI] | NCGC00016668-01 | CAS-6064-83-1 | CHEBI:94564 | E78152 |...
  2. 5-Chlorothiazol-2-amine
    CAS: 41663-73-4 EC Number: 817-505-4 Formula: C3H3ClN2S Molecular Weight: 134.59
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: A303683
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    IUPAC Name
    5-chloro-1,3-thiazol-2-amine
    SMILES
    C1=C(SC(=N1)N)Cl
    InChIKey
    SWQWTDAWUSBMGA-UHFFFAOYSA-N
    InChI
    1S/C3H3ClN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
    Synonyms
    5-Chloro-1,3-thiazol-2-amine | AKOS009157339 | BCP30274 | 5-chloro-2-aminothiazole | EN300-84362 | J-517418 | (5-chlo...
  3. 2-Aminopurine riboside
    CAS: 4546-54-7 Formula: C10H13N5O4 Molecular Weight: 267.24
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ◐ .Made to order · 8–12 wks Item #: A275447
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    IUPAC Name
    (2R,3R,4S,5R)-2-(2-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    SMILES
    C1=C2C(=NC(=N1)N)N(C=N2)C3C(C(C(O3)CO)O)O
    InChIKey
    JVOJULURLCZUDE-JXOAFFINSA-N
    InChI
    1S/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)/t5-,6-,7-,9-/m1/s1
    Synonyms
    2-Amino-9-(b-D-ribofuranosyl)purine | (2R,3R,4S,5R)-2-(2-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | 2-N...
  4. 2-Amino-N-quinolin-8-yl-benzenesulfonamide
    CAS: 16082-64-7 EC Number: 633-904-4 Formula: C15H13N3O2S Molecular Weight: 299.35
    ● In Stock — US warehouse, ships to EU* Item #: A338659
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    IUPAC Name
    2-amino-N-quinolin-8-ylbenzenesulfonamide
    SMILES
    C1=CC=C(C(=C1)N)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3
    InChIKey
    NIOOKXAMJQVDGB-UHFFFAOYSA-N
    InChI
    1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2
    Synonyms
    CU-00000000193-2 | AB00074880-01 | D92911 | Oprea1_584159 | 2-amino-N-(quinolin-8-yl)benzenesulfonamide | NCGC0016168...
  5. 2-Bromo-1-(4-fluorophenyl)-2-phenylethanone
    CAS: 88675-31-4 EC Number: 112-487-8 Formula: C14H10BrFO Molecular Weight: 293.14
    ● In Stock — US warehouse, ships to EU* Item #: B304836
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    IUPAC Name
    2-bromo-1-(4-fluorophenyl)-2-phenylethanone
    SMILES
    C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)F)Br
    InChIKey
    DYTDDALWSRMTDA-UHFFFAOYSA-N
    InChI
    1S/C14H10BrFO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
    Synonyms
    2-Bromo-1-(4-fluorophenyl)-2-phenylethanone | 2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one | DTXSID20461735 | ADK-2...
  6. 2-BFI hydrochloride
    CAS: 89196-95-2 EC Number: 688-999-5 Formula: C11H10N2O•HCl Molecular Weight: 222.67
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: B288153
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    IUPAC Name
    2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
    SMILES
    C1CN=C(N1)C2=CC3=CC=CC=C3O2.Cl
    InChIKey
    RFNFFVDVGWOSNZ-UHFFFAOYSA-N
    InChI
    1S/C11H10N2O.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-4,7H,5-6H2,(H,12,13);1H
    Synonyms
    2-(2-BENZOFURANYL)-2-IMIDAZOLINE HYDROCHLORIDE | 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride | HY-10...
  7. 2-Benzyl-1H-benzoimidazole
    CAS: 621-72-7 EC Number: 210-703-6 Formula: C14H12N2 Molecular Weight: 208.27
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B425150
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    Technical Identifiers
    IUPAC Name
    2-benzyl-1H-benzimidazole
    SMILES
    C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2
    InChIKey
    YTLQFZVCLXFFRK-UHFFFAOYSA-N
    InChI
    1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
    Synonyms
    A833626 | Bendazol;2-Benzylbenzimidazole | UNII-26601THN1D | DTXSID80211157 | 2-Benzyl-1H-benzoimidazole | Bendazolo ...
  8. 2-Bromo-3-nitrothiophene
    CAS: 2161-96-8 Formula: C4H2BrNO2S Molecular Weight: 208.03
    ● In Stock — US warehouse, ships to EU* Item #: D303054
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    Technical Identifiers
    IUPAC Name
    2-bromo-3-nitrothiophene
    SMILES
    C1=CSC(=C1[N+](=O)[O-])Br
    InChIKey
    BWMCPPKGEXBKSY-UHFFFAOYSA-N
    InChI
    1S/C4H2BrNO2S/c5-4-3(6(7)8)1-2-9-4/h1-2H
    Synonyms
    BWMCPPKGEXBKSY-UHFFFAOYSA-N | FT-0712389 | MFCD04037319 | SCHEMBL5841002 | 2-Bromo-3-nitrothiphene | Thiophene, 2-bro...
  9. 2-Bromo-5-methylphenol
    CAS: 14847-51-9 Formula: C7H7BrO Molecular Weight: 187.03
    ● In Stock — US warehouse, ships to EU* Item #: D302938
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    Technical Identifiers
    IUPAC Name
    2-bromo-5-methylphenol
    SMILES
    CC1=CC(=C(C=C1)Br)O
    InChIKey
    WWGPJMNOBVKDQO-UHFFFAOYSA-N
    InChI
    1S/C7H7BrO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
    Synonyms
    Phenol, 2-bromo-5-methyl- | AC-28528 | MFCD11100989 | MB09252 | AKOS006307132 | Z1198311230 | EN300-132559 | 2-Bromo-...
  10. 2-Chloro-4-nitrophenyl β-D-Glucopyranoside
    CAS: 120221-14-9 Formula: C12H14ClNO8 Molecular Weight: 335.69
    ● In Stock — US warehouse, ships to EU* Item #: C302582
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    IUPAC Name
    (2S,3R,4S,5S,6R)-2-(2-chloro-4-nitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES
    C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC2C(C(C(C(O2)CO)O)O)O
    InChIKey
    PJCVBKZRKNFZOD-RMPHRYRLSA-N
    InChI
    1S/C12H14ClNO8/c13-6-3-5(14(19)20)1-2-7(6)21-12-11(18)10(17)9(16)8(4-15)22-12/h1-3,8-12,15-18H,4H2/t8-,9-,10+,11-,12-/m1/s1
    Synonyms
    120221-14-9|(2S,3R,4S,5S,6R)-2-(2-Chloro-4-nitrophenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol|2-Chloro-4-...
  11. 2-Chloro-4-nitrophenyl-ß-D-cellobioside
    CAS: 135743-28-1 PubChem CID: 45051760 Formula: C18H24ClNO13 Molecular Weight: 497.83
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C276062
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    Technical Identifiers
    IUPAC Name
    (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES
    C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
    InChIKey
    RFGBZYLCQCJGOG-KFRZSCGFSA-N
    InChI
    1S/C18H24ClNO13/c19-7-3-6(20(28)29)1-2-8(7)30-17-15(27)13(25)16(10(5-22)32-17)33-18-14(26)12(24)11(23)9(4-21)31-18/h1-3,9-18,21-27H,4-5H2/t9-,10-,11-,show more
    Synonyms
    2-Chloro-4-nitrophenyl4-O-β-D-glucopyranosyl-β-D-glucopyranoside
  12. 2-CHLORO-2,3-DIMETHYL BUTANE
    CAS: 594-57-0 Formula: C6H13Cl Molecular Weight: 120.62
    ◐ .Made to order · 8–12 wks Item #: C304093
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    Technical Identifiers
    IUPAC Name
    2-chloro-2,3-dimethylbutane
    SMILES
    CC(C)C(C)(C)Cl
    InChIKey
    HEMQRALQJLCVBR-UHFFFAOYSA-N
    InChI
    1S/C6H13Cl/c1-5(2)6(3,4)7/h5H,1-4H3
    Synonyms
    2-Chloro-2,3-dimethylbutane|594-57-0|2-Chloro-2,3-dimethyl butane|Butane, 2-chloro-2,3-dimethyl-|SCHEMBL756149|2-chlo...
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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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