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. Acetophenone azine
    CAS: 729-43-1 EC Number: 211-979-0 Formula: C16H16N2 Molecular Weight: 236.32
    ● In Stock — US warehouse, ships to EU* Item #: A354604
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    IUPAC Name
    (E)-1-phenyl-N-[(E)-1-phenylethylideneamino]ethanimine
    SMILES
    CC(=NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2
    InChIKey
    MOKMQSIJAHPSQX-HBKJEHTGSA-N
    InChI
    1S/C16H16N2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3/b17-13+,18-14+
    Synonyms
    MFCD00015011 | PhAc azine | A837678 | Ethanone, 1-phenyl-, azine | AS-10685 | Ethanone,1-phenyl-,2-(1-phenylethyliden...
  2. Acetohexamide-d11
    CAS: 968-81-0(unlabeled) Formula: C₁₅H₉D₁₁N₂O₄S Molecular Weight: 335.46
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    ◐ .Made to order · 8–12 wks Item #: A353489
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  3. Acetohexamide, Sulfonylurea receptor 1, Kir6.2 blocker
    CAS: 968-81-0 EC Number: 213-530-4 Formula: C15H20N2O4S Molecular Weight: 324.40
    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 #: A427175
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    IUPAC Name
    1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea
    SMILES
    CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2
    InChIKey
    VGZSUPCWNCWDAN-UHFFFAOYSA-N
    InChI
    1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
    Synonyms
    acetohexamide|968-81-0|Dymelor|Acetohexamid|Gamadiabet|Dimelor|Hypoglicil|Metaglucina|Tsiklamid|Minoral|Ordimel|Aceto...
  4. Acetyl-11-keto-β-Boswellic Acid, Boswellia serrata
    CAS: 67416-61-9 EC Number: 614-060-6 Formula: C32H48O5 Molecular Weight: 512.74
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A425391
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    IUPAC Name
    (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropshow more
    SMILES
    CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C
    InChIKey
    HMMGKOVEOFBCAU-BCDBGHSCSA-N
    InChI
    1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2show more
    Synonyms
    ACETYL-11-OXO-beta-BOSWELLIC ACID | AKBA cpd | 3-Acetyl-11-keto-.beta.-boswellic acid | 3alpha-acetoxy-11-keto-beta-b...
  5. Acetylcorynoline
    CAS: 18797-80-3 EC Number: 683-178-8 Formula: C23H23NO6 Molecular Weight: 409.43
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A422292
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    IUPAC Name
    [(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] aceshow more
    SMILES
    CC(=O)OC1CC2=CC3=C(C=C2C4C1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3
    InChIKey
    PUHCFWFODBLSAP-WWNPGLIZSA-N
    InChI
    1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+show more
    Synonyms
    CHEBI:188060 | MFCD28385837 | Q-100226 | (+)-Corynoline acetate | DTXSID70172127 | SCHEMBL23246123 | AKOS030632865 | ...
  6. Acetylclonidine
    CAS: 54707-71-0 Formula: C11H11Cl2N3O Molecular Weight: 272.13
    ● In Stock — US warehouse, ships to EU* Item #: A352736
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    IUPAC Name
    1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone
    SMILES
    CC(=O)N1CCN=C1NC2=C(C=CC=C2Cl)Cl
    InChIKey
    AFINVMDZLRAKEV-UHFFFAOYSA-N
    InChI
    1S/C11H11Cl2N3O/c1-7(17)16-6-5-14-11(16)15-10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,14,15)
    Synonyms
    1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone | DTXSID901153564 | N-Acetyl clonidine [USP] | BIM-00095...
  7. Acetylcorynoline
    CAS: 18797-80-3 Formula: C23H23NO6 Molecular Weight: 409.43
    ● In Stock — US warehouse, ships to EU* Item #: A412876
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    Technical Identifiers
    IUPAC Name
    [(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] aceshow more
    SMILES
    CC(=O)OC1CC2=CC3=C(C=C2C4C1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3
    InChIKey
    PUHCFWFODBLSAP-WWNPGLIZSA-N
    InChI
    1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+show more
    Synonyms
    CHEBI:188060 | MFCD28385837 | Q-100226 | (+)-Corynoline acetate | DTXSID70172127 | SCHEMBL23246123 | AKOS030632865 | ...
  8. N-Acetyl-L-Cysteine(NAC), Mycolytic
    CAS: 616-91-1 EC Number: 210-498-3 Formula: C5H9NO3S Molecular Weight: 163.19
    Liquid 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 #: A408248
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    Synonyms
    NAC | N-​acetyl-L-​cysteine
  9. Acetylisovaleryltylosin Tartrate
    CAS: 63428-13-7 PubChem CID: 71463726 Formula: C57H93NO25 Molecular Weight: 1192.37
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: A425217
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    Technical Identifiers
    IUPAC Name
    [(2R,3R,4R,5R,6R)-6-[[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethshow more
    SMILES
    CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)C)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)OC(=O)CC(C)C)OC)OC.C(C(C(=O)O)show more
    InChIKey
    KWXNNLFPPKMIJU-WRVYPGGXSA-N
    InChI
    1S/C53H87NO19.C4H6O6/c1-16-39-36(26-65-52-49(64-15)48(63-14)47(32(8)68-52)71-40(59)21-27(2)3)22-28(4)17-18-37(57)29(5)23-35(19-20-55)45(30(6)38(58)24-show more
    Synonyms
    AK105039Tylosin,3-​acetate 4B-​(3-​methylbutanoate)​,(2R,​3R)​-​2,​3-​dihydroxybutanedioat​e (1:?)
  10. Acetylisovaleryltylosin Tartrate
    CAS: 63428-13-7 PubChem CID: 71463726 Formula: C57H93NO25 Molecular Weight: 1192.37
    ≥830u/mg
    ● In Stock — US warehouse, ships to EU* Item #: A413244
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    Technical Identifiers
    IUPAC Name
    [(2R,3R,4R,5R,6R)-6-[[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethshow more
    SMILES
    CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)C)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)OC(=O)CC(C)C)OC)OC.C(C(C(=O)O)show more
    InChIKey
    KWXNNLFPPKMIJU-WRVYPGGXSA-N
    InChI
    1S/C53H87NO19.C4H6O6/c1-16-39-36(26-65-52-49(64-15)48(63-14)47(32(8)68-52)71-40(59)21-27(2)3)22-28(4)17-18-37(57)29(5)23-35(19-20-55)45(30(6)38(58)24-show more
    Synonyms
    AK105039Tylosin,3-​acetate 4B-​(3-​methylbutanoate)​,(2R,​3R)​-​2,​3-​dihydroxybutanedioat​e (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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