Targets & Pathways

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).

136,943 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

2,815

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. WAY-298668
    CAS: 371224-09-8 PubChem CID: 3147411 Formula: C22H23N5O3 Molecular Weight: 405.44972
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W423666
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    Technical Identifiers
    IUPAC Name
    2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
    SMILES
    CCOC1=CC2=C(N=C(N=C2C=C1)NC3=NC(CC(=O)N3)C4=CC=C(C=C4)OC)C
    InChIKey
    KQAQQNMXXWWOOB-UHFFFAOYSA-N
    InChI
    1S/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,show more
  2. WAY-299775
    CAS: 333441-43-3 Formula: C19H16N2O3S Molecular Weight: 352.41
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: W423433
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    SMILES
    O=C(NC1=CC=CC=C1)C2=CC=C(N[S](=O)(=O)C3=CC=CC=C3)C=C2
  3. WAY-299783
    CAS: 505066-71-7 Formula: C23H26N2O7S Molecular Weight: 474.53
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W424346
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    SMILES
    COC1=C(OC)C(=CC(=C1)C2=NC(=C(O2)N3CCOCC3)[S](=O)(=O)C4=CC=C(C)C=C4)OC
  4. WAY-299788
    CAS: 50693-74-8 PubChem CID: 706307 Formula: C12H18N6O2 Molecular Weight: 278.32
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W424365
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    IUPAC Name
    1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
    SMILES
    CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C
    InChIKey
    CWQBJMULHKYRNB-UHFFFAOYSA-N
    InChI
    1S/C12H18N6O2/c1-15-8-9(16(2)12(20)17(3)10(8)19)14-11(15)18-6-4-13-5-7-18/h13H,4-7H2,1-3H3
    Synonyms
    1,3,7-trimethyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione | SCHEMBL531646 | 1,3,7-Trimethyl-8-piperaz...
  5. WAY-299838
    CAS: 333357-56-5 PubChem CID: 589919 Formula: C18H19IN2O2 Molecular Weight: 422.26013
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: W423430
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    Technical Identifiers
    IUPAC Name
    N-(4-iodophenyl)-4-(morpholin-4-ylmethyl)benzamide
    SMILES
    C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)I
    InChIKey
    ZOFBYPLMJZJZIK-UHFFFAOYSA-N
    InChI
    1S/C18H19IN2O2/c19-16-5-7-17(8-6-16)20-18(22)15-3-1-14(2-4-15)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
  6. WAY-299845-A
    CAS: 40963-83-5 PubChem CID: 2916965 Formula: C18H24ClNO4 Molecular Weight: 353.84
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: W423865
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    IUPAC Name
    ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride
    SMILES
    CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CN3CCCCC3.Cl
    InChIKey
    HGZSBQVMILARPH-UHFFFAOYSA-N
    InChI
    1S/C18H23NO4.ClH/c1-3-22-18(20)17-14-11-13(21-2)7-8-15(14)23-16(17)12-19-9-5-4-6-10-19;/h7-8,11H,3-6,9-10,12H2,1-2H3;1H
    Synonyms
    40963-83-5|Ethyl 5-methoxy-2-(piperidin-1-ylmethyl)benzofuran-3-carboxylate hydrochloride|MLS000120393|CHEMBL1559978|...
  7. WAY-299862
    CAS: 303792-67-8 PubChem CID: 1416927 Formula: C20H18N2O3S2 Molecular Weight: 398.5
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W423143
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    Technical Identifiers
    IUPAC Name
    4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyphenyl)butanamide
    SMILES
    C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3O
    InChIKey
    RAMDEYBXJWGGCT-LGMDPLHJSA-N
    InChI
    1S/C20H18N2O3S2/c23-16-10-5-4-9-15(16)21-18(24)11-6-12-22-19(25)17(27-20(22)26)13-14-7-2-1-3-8-14/h1-5,7-10,13,23H,6,11-12H2,(H,21,24)/b17-13-
  8. WAY-299899
    CAS: 337350-75-1 PubChem CID: 767980 Formula: C17H18N4OS Molecular Weight: 326.42
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W423459
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    Technical Identifiers
    IUPAC Name
    3-benzyl-2-hydrazinyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
    SMILES
    C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CC=C4)NN
    InChIKey
    YIOAHVXFPXWMLZ-UHFFFAOYSA-N
    InChI
    1S/C17H18N4OS/c18-20-17-19-15-14(12-8-4-5-9-13(12)23-15)16(22)21(17)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,18H2,(H,19,20)
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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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