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-639715
    CAS: 795285-30-2 PubChem CID: 2446031 Formula: C17H16FN5S Molecular Weight: 341.41
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: W426020
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    Technical Identifiers
    IUPAC Name
    6-[(4-fluorophenyl)sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
    SMILES
    CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC=C(C=C3)F
    InChIKey
    AAFATYSWBYJIIM-UHFFFAOYSA-N
    InChI
    1S/C17H16FN5S/c1-11-4-2-3-5-14(11)20-17-22-15(21-16(19)23-17)10-24-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H3,19,20,21,22,23)
  2. WAY-639717
    CAS: 795285-35-7 PubChem CID: 135433255 Formula: C19H21N5O3S2 Molecular Weight: 431.53
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W426021
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    Technical Identifiers
    IUPAC Name
    N-[4-[2-[3-(dimethylsulfamoyl)phenyl]imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide
    SMILES
    CC(=O)NC1=CC=C(C=C1)C2=NNC(=NC3=CC(=CC=C3)S(=O)(=O)N(C)C)SC2
    InChIKey
    FRWUUIXIPUZZSW-UHFFFAOYSA-N
    InChI
    1S/C19H21N5O3S2/c1-13(25)20-15-9-7-14(8-10-15)18-12-28-19(23-22-18)21-16-5-4-6-17(11-16)29(26,27)24(2)3/h4-11H,12H2,1-3H3,(H,20,25)(H,21,23)
  3. WAY-639760
    CAS: 157862-79-8 PubChem CID: 667555 Formula: C20H16N4 Molecular Weight: 312.37
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W421894
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    IUPAC Name
    N-benzyl-2-pyridin-3-ylquinazolin-4-amine
    SMILES
    C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4
    InChIKey
    AELMNLIYFALJIR-UHFFFAOYSA-N
    InChI
    1S/C20H16N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h1-12,14H,13H2,(H,22,23,24)
    Synonyms
    N-benzyl-2-pyridin-3-ylquinazolin-4-amine|N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine|76HY3LWB8V|CHEMBL119841|157862-...
  4. WAY-639807
    CAS: 791127-56-5 PubChem CID: 2534275 Formula: C10H10BrN5O Molecular Weight: 296.12
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W425974
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    Technical Identifiers
    IUPAC Name
    N-(4-bromo-3-methylphenyl)-2-(tetrazol-1-yl)acetamide
    SMILES
    CC1=C(C=CC(=C1)NC(=O)CN2C=NN=N2)Br
    InChIKey
    RKCFOCGMOBCEPZ-UHFFFAOYSA-N
    InChI
    1S/C10H10BrN5O/c1-7-4-8(2-3-9(7)11)13-10(17)5-16-6-12-14-15-16/h2-4,6H,5H2,1H3,(H,13,17)
  5. WAY-639872
    CAS: 796119-18-1 PubChem CID: 4879545 Formula: C21H21N3O3 Molecular Weight: 363.41
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: W426047
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    Technical Identifiers
    IUPAC Name
    N-(2-morpholin-4-ylphenyl)-2-quinolin-8-yloxyacetamide
    SMILES
    C1COCCN1C2=CC=CC=C2NC(=O)COC3=CC=CC4=C3N=CC=C4
    InChIKey
    ZJRDHGFMVANNGO-UHFFFAOYSA-N
    InChI
    1S/C21H21N3O3/c25-20(15-27-19-9-3-5-16-6-4-10-22-21(16)19)23-17-7-1-2-8-18(17)24-11-13-26-14-12-24/h1-10H,11-15H2,(H,23,25)
  6. WAY-640426
    CAS: 851278-26-7 PubChem CID: 2486416 Formula: C14H10N2O4S Molecular Weight: 302.31
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: W426266
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    Technical Identifiers
    IUPAC Name
    2-(1,3-benzodioxol-5-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
    SMILES
    C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(O3)C4=CC=CS4
    InChIKey
    OYWLLJQPZPCDEH-UHFFFAOYSA-N
    InChI
    1S/C14H10N2O4S/c1-2-12(21-5-1)14-16-15-13(20-14)7-17-9-3-4-10-11(6-9)19-8-18-10/h1-6H,7-8H2
    Synonyms
    2-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole|851278-26-7|MLS001010765|CHEMBL1468284|DTX...
  7. WAY-638459
    CAS: 794553-31-4 PubChem CID: 4877585 Formula: C22H19N3O6 Molecular Weight: 421.4
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W426004
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    Technical Identifiers
    IUPAC Name
    [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 5-nitrofuran-2-carboxylate
    SMILES
    CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C41
    InChIKey
    OMAOAUMYJAOSAZ-UHFFFAOYSA-N
    InChI
    1S/C22H19N3O6/c1-3-24-17-7-5-4-6-15(17)16-12-14(8-9-18(16)24)23-21(26)13(2)30-22(27)19-10-11-20(31-19)25(28)29/h4-13H,3H2,1-2H3,(H,23,26)
  8. WAY-639621
    CAS: 794582-71-1 PubChem CID: 2443231 Formula: C16H13N3OS2 Molecular Weight: 327.42
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: W426014
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    Technical Identifiers
    IUPAC Name
    2-phenylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
    SMILES
    C1=CC=C(C=C1)SCC(=O)NC2=NC(=CS2)C3=CC=CC=N3
    InChIKey
    FEKFKURUDDXFPS-UHFFFAOYSA-N
    InChI
    1S/C16H13N3OS2/c20-15(11-21-12-6-2-1-3-7-12)19-16-18-14(10-22-16)13-8-4-5-9-17-13/h1-10H,11H2,(H,18,19,20)
  9. WAY-640360
    CAS: 851400-21-0 PubChem CID: 4882010 Formula: C28H31N3O2 Molecular Weight: 441.56
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W426269
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    Technical Identifiers
    IUPAC Name
    N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
    SMILES
    CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
    InChIKey
    FANPYBKYEYLWDK-UHFFFAOYSA-N
    InChI
    1S/C28H31N3O2/c1-21-10-9-15-25(18-21)31-17-16-30(20-22(31)2)27(32)19-26(23-11-5-3-6-12-23)29-28(33)24-13-7-4-8-14-24/h3-15,18,22,26H,16-17,19-20H2,1-2show more
  10. WAY-640400
    CAS: 791132-77-9 PubChem CID: 2549140 Formula: C19H20N4O2S Molecular Weight: 368.45
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: W425975
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    Technical Identifiers
    IUPAC Name
    7-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
    SMILES
    CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)N4C=CSC4=N3
    InChIKey
    GGYSKCYQCYAXNV-UHFFFAOYSA-N
    InChI
    1S/C19H20N4O2S/c1-14(24)15-2-4-17(5-3-15)22-8-6-21(7-9-22)13-16-12-18(25)23-10-11-26-19(23)20-16/h2-5,10-12H,6-9,13H2,1H3
  11. WAY-640414
    CAS: 748798-97-2 PubChem CID: 2549396 Formula: C19H22N2O Molecular Weight: 294.39
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: W425818
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    Technical Identifiers
    IUPAC Name
    N-(2-benzylphenyl)-2-pyrrolidin-1-ylacetamide
    SMILES
    C1CCN(C1)CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3
    InChIKey
    YMIGTOJYERTOJB-UHFFFAOYSA-N
    InChI
    1S/C19H22N2O/c22-19(15-21-12-6-7-13-21)20-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2,(H,20,22)
  12. WAY-640486
    CAS: 851282-35-4 PubChem CID: 2505065 Formula: C18H15N5O3S Molecular Weight: 381.41
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: W426267
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    Technical Identifiers
    IUPAC Name
    6-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one
    SMILES
    CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4
    InChIKey
    LBMAJAUQKGFKRN-UHFFFAOYSA-N
    InChI
    1S/C18H15N5O3S/c1-11-2-5-13(6-3-11)23-18(20-21-22-23)27-10-15(24)12-4-7-16-14(8-12)19-17(25)9-26-16/h2-8H,9-10H2,1H3,(H,19,25)
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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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