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

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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. 4-Benzyloxazolidine-2,5-dione
    CAS: 583-47-1 Formula: C10H9NO3 Molecular Weight: 191.18
    Solid ≥95%
    ◐ .Made to order · 8–12 wks Item #: D304061
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    Technical Identifiers
    IUPAC Name
    4-benzyl-1,3-oxazolidine-2,5-dione
    SMILES
    C1=CC=C(C=C1)CC2C(=O)OC(=O)N2
    InChIKey
    GQBIVYSGPXCELZ-UHFFFAOYSA-N
    InChI
    1S/C10H9NO3/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,13)
    Synonyms
    4-Benzyloxazolidine-2,5-dione | AS-31704 | JK8R9ZUK4S | AKOS022183104 | MFCD03411307 | 4-benzyl-1,3-oxazolidine-2,5-d...
  2. 4-Bromo-N-(4-bromophenyl)-3-[[(phenylmethyl)amino]sulfonyl]benzamide
    CAS: 312756-74-4 EC Number: 683-710-9 Formula: C20H16Br2N2O3S Molecular Weight: 524.23
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B423223
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    IUPAC Name
    3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide
    SMILES
    C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)Br)Br
    InChIKey
    SWKAVEUTKGKHSR-UHFFFAOYSA-N
    InChI
    1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25)
    Synonyms
    3-[(benzylamino)sulfonyl]-4-bromo-N-(4-bromophenyl)benzamide | AC-35367 | 3-(N-Benzylsulfamoyl)-4-bromo-N-(4-bromophe...
  3. 4-Bromoindole-3-carboxylic acid
    CAS: 110811-31-9 EC Number: 835-438-9 Formula: C9H6NO2Br Molecular Weight: 240.05
    ● In Stock — US warehouse, ships to EU* Item #: B343776
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    Technical Identifiers
    IUPAC Name
    4-bromo-1H-indole-3-carboxylic acid
    SMILES
    C1=CC2=C(C(=C1)Br)C(=CN2)C(=O)O
    InChIKey
    GJQQLCJFHKJARJ-UHFFFAOYSA-N
    InChI
    1S/C9H6BrNO2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/h1-4,11H,(H,12,13)
    Synonyms
    DTXSID40553666 | SCHEMBL2769281 | 1H-Indole-3-carboxylicacid, 4-bromo- | SY058803 | MFCD09817565 | J-514818 | FT-0749...
  4. 4-Butylresorcinol
    CAS: 18979-61-8 Formula: C10H14O2 Molecular Weight: 166.22
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B422327
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    Technical Identifiers
    IUPAC Name
    4-butylbenzene-1,3-diol
    SMILES
    CCCCC1=C(C=C(C=C1)O)O
    InChIKey
    CSHZYWUPJWVTMQ-UHFFFAOYSA-N
    InChI
    1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
    Synonyms
    4-butylbenzene-1,3-diol | HY-107369 | Rucinol (TN) | BCP22040 | C18343 | N-butylresorcinol | VIVINOL | 4-n-Butylresor...
  5. 4-Biphenylacetic Acid
    CAS: 5728-52-9 EC Number: 227-233-2 Formula: C14H12O2 Molecular Weight: 212.25
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B424827
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    IUPAC Name
    2-(4-phenylphenyl)acetic acid
    SMILES
    C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
    InChIKey
    QRZAKQDHEVVFRX-UHFFFAOYSA-N
    InChI
    1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
    Synonyms
    4-Carboxymethylbiphenyl | Acetic acid, (4-biphenylyl)- | FELBINAC [MI] | Opera_ID_534 | SMR000059071 | AR1730 | HFN-3...
  6. 4-Bromo-5-nitrobenzene-1,2-diamine
    CAS: 113269-07-1 EC Number: 103-280-3 Formula: C6H6BrN3O2 Molecular Weight: 232.04
    ● In Stock — US warehouse, ships to EU* Item #: B302227
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    IUPAC Name
    4-bromo-5-nitrobenzene-1,2-diamine
    SMILES
    C1=C(C(=CC(=C1[N+](=O)[O-])Br)N)N
    InChIKey
    XGXKPRVKQPWQOY-UHFFFAOYSA-N
    InChI
    1S/C6H6BrN3O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,8-9H2
    Synonyms
    4-Bromo-5-nitrobenzene-1,2-diamine | AS-61709 | MFCD21604159 | AKOS022182569 | DTXSID90764841 | C71438
  7. 4-Bromo-N,N-bis(4-methoxybenzyl)benzenesulfonamide
    CAS: 192767-23-0 Formula: C22H22BrNO4S Molecular Weight: 476.38
    ● In Stock — US warehouse, ships to EU* Item #: B305291
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    IUPAC Name
    4-bromo-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide
    SMILES
    COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)Br
    InChIKey
    YYLDNQJUMNGLLQ-UHFFFAOYSA-N
    InChI
    1S/C22H22BrNO4S/c1-27-20-9-3-17(4-10-20)15-24(16-18-5-11-21(28-2)12-6-18)29(25,26)22-13-7-19(23)8-14-22/h3-14H,15-16H2,1-2H3
    Synonyms
    192767-23-0|Benzenesulfonamide, 4-bromo-N,N-bis[(4-methoxyphenyl)methyl]-|4-Bromo-N,N-bis(4-methoxybenzyl)benzenesulf...
  8. 4-Butylresorcinol
    CAS: 18979-61-8 EC Number: 606-191-2 Formula: C10H14O2 Molecular Weight: 166.22
    Solid ≥98%(GC)
    ● In Stock — US warehouse, ships to EU* Item #: B152158
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    Technical Identifiers
    IUPAC Name
    4-butylbenzene-1,3-diol
    SMILES
    CCCCC1=C(C=C(C=C1)O)O
    InChIKey
    CSHZYWUPJWVTMQ-UHFFFAOYSA-N
    InChI
    1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
    Synonyms
    4-butylbenzene-1,3-diol | HY-107369 | Rucinol (TN) | BCP22040 | C18343 | N-butylresorcinol | VIVINOL | 4-n-Butylresor...
  9. 4-Androsten-11β-ol-3,17-dione
    CAS: 382-44-5 Formula: C19H26O3 Molecular Weight: 302.41
    ● In Stock — US warehouse, ships to EU* Item #: A118720
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    Technical Identifiers
    IUPAC Name
    (8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
    SMILES
    CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4=O)C)O
    InChIKey
    WSCUHXPGYUMQEX-KCZNZURUSA-N
    InChI
    1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
    Synonyms
    Androst-4-en-3,17-dione, 11beta-hydroxy- | (2E,4E)-2,4-Heptadien-1-ol | NCGC00485120-01 | (E,E)-2,4-Dodecadien-1-al |...
  10. 4-Bromo-3-hydroxybenzoic acid
    CAS: 14348-38-0 EC Number: 630-184-3 Formula: C7H5BrO3 Molecular Weight: 217.02
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: B302871
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    Technical Identifiers
    IUPAC Name
    4-bromo-3-hydroxybenzoic acid
    SMILES
    C1=CC(=C(C=C1C(=O)O)O)Br
    InChIKey
    PAJSESFUWIYFNF-UHFFFAOYSA-N
    InChI
    1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
    Synonyms
    PD088077 | AM84020 | p-Brom-m-oxybenzoesaure | BBL101377 | HY-W003445 | Benzoic acid, 4-bromo-3-hydroxy- | CCG-266697...
  11. 4-CMTB
    CAS: 300851-67-6 EC Number: 803-709-0 Formula: C14H15ClN2OS Molecular Weight: 294.8
    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
    ◐ .Made to order · 8–12 wks Item #: C423093
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    IUPAC Name
    2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
    SMILES
    CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2
    InChIKey
    AZYDQCGCBQYFSE-UHFFFAOYSA-N
    InChI
    1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)
    Synonyms
    SCHEMBL16369644 | 4-chloro-alpha-(1-methylethyl)-N-2-thiazolylbenzeneacetamide | 4-Chloro-alpha-(1-methylethyl)-N-2-t...
  12. 4-Bromo-2,3-dimethylaniline
    CAS: 22364-25-6 EC Number: 676-304-8 Formula: C8H10BrN Molecular Weight: 200.08
    ● In Stock — US warehouse, ships to EU* Item #: B345050
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    Technical Identifiers
    IUPAC Name
    4-bromo-2,3-dimethylaniline
    SMILES
    CC1=C(C=CC(=C1C)Br)N
    InChIKey
    YOBPAGXZBSWOHP-UHFFFAOYSA-N
    InChI
    1S/C8H10BrN/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,10H2,1-2H3
    Synonyms
    EN300-86157 | (4-Bromo-2,3-dimethylphenyl)amine | p-bromdimethylanilin | AMY5054 | SB35571 | s10417 | SCHEMBL580651 |...
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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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