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. 2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-carboxylic acid [4-hydroxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
    CAS: 256227-77-7 PubChem CID: 10624680
    ◐ Made to order · 8–12 wks Item #: M941441
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    Technical Identifiers
    IUPAC Name
    N-[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
    SMILES
    CC1=C(C=CC(=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)O)N5CCN(CC5)C
    InChIKey
    NLGSHZDQUKRUEL-UHFFFAOYSA-N
    InChI
    1S/C28H29N5O3/c1-18-16-22(28-31-30-19(2)36-28)8-10-24(18)20-4-6-21(7-5-20)27(35)29-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15show more
  2. 2,3,4,6-Tetra-o-acetylhexopyranosyl-(1->4)-2,3,6-tri-o-acetylhexopyranosyl-(1->4)-1,2,3,6-tetra-o-acetylhexopyranose
    CAS: 31873-40-2 Formula: C40H54O27 Molecular Weight: 966.800
    ◐ Made to order · 8–12 wks Item #: T950081
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    IUPAC Name
    [4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
    SMILES
    CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
    InChIKey
    NNLVGZFZQQXQNW-UHFFFAOYSA-N
    InChI
    1S/C40H54O27/c1-15(41)52-12-26-29(55-18(4)44)32(56-19(5)45)36(60-23(9)49)39(64-26)67-31-28(14-54-17(3)43)65-40(37(61-24(10)50)34(31)58-21(7)47)66-30-2show more
  3. 2,3-Dibromobutenedioic acid
    CAS: 608-38-8 Formula: C4H2Br2O4 Molecular Weight: 273.860
    ◐ Made to order · 8–12 wks Item #: D1020121
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    Technical Identifiers
    IUPAC Name
    (E)-2,3-dibromobut-2-enedioic acid
    SMILES
    C(=C(/C(=O)O)\Br)(\C(=O)O)/Br
    InChIKey
    PMNMPRXRQYSFRP-OWOJBTEDSA-N
    InChI
    1S/C4H2Br2O4/c5-1(3(7)8)2(6)4(9)10/h(H,7,8)(H,9,10)/b2-1+
  4. 2,3-Dibromosuccinic acid, (2R,3R)-
    CAS: 916065-44-6 Formula: C4H4Br2O4 Molecular Weight: 275.880
    ◐ Made to order · 8–12 wks Item #: D991253
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    Technical Identifiers
    IUPAC Name
    (2R,3R)-2,3-dibromobutanedioic acid
    SMILES
    [C@H]([C@@H](C(=O)O)Br)(C(=O)O)Br
    InChIKey
    FJWGRXKOBIVTFA-LWMBPPNESA-N
    InChI
    1S/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
  5. 2,3,4,6-Tetra-o-acetyl-alpha-D-glucopyranosyl chloride
    CAS: 4451-35-8 PubChem CID: 10361568
    ◐ Made to order · 8–12 wks Item #: T1036421
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    IUPAC Name
    [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-chlorooxan-2-yl]methyl acetate
    SMILES
    CC(=O)OCC1C(C(C(C(O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C
    InChIKey
    BYWPSIUIJNAJDV-RGDJUOJXSA-N
    InChI
    1S/C14H19ClO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
  6. 2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl cyanide
    CAS: 52443-07-9 PubChem CID: 11783252
    ◐ Made to order · 8–12 wks Item #: T1041792
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    Technical Identifiers
    IUPAC Name
    [(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-cyanooxan-2-yl]methyl acetate
    SMILES
    CC(=O)OCC1C(C(C(C(O1)C#N)OC(=O)C)OC(=O)C)OC(=O)C
    InChIKey
    URSBDPDTERVBDN-AIEDFZFUSA-N
    InChI
    1S/C15H19NO9/c1-7(17)21-6-12-14(23-9(3)19)15(24-10(4)20)13(22-8(2)18)11(5-16)25-12/h11-15H,6H2,1-4H3/t11-,12+,13-,14-,15+/m0/s1
  7. 2,3-Dihydro-6-(p-fluorophenyl)-5-(4-pyridyl)imidazo(2,1-b)thiazole dihydrochloride
    CAS: 116339-68-5 PubChem CID: 10339107 Formula: C16H14Cl2FN3S Molecular Weight: 370.3
    ◐ Made to order · 8–12 wks Item #: D1030577
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    IUPAC Name
    6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride
    SMILES
    C1CSC2=NC(=C(N21)C3=CC=NC=C3)C4=CC=C(C=C4)F.Cl.Cl
    InChIKey
    GQQCNUNCYVXBTF-UHFFFAOYSA-N
    InChI
    1S/C16H12FN3S.2ClH/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14;;/h1-8H,9-10H2;2*1H
  8. 2,4-Di-tert-butyl-5-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl methyl carbonate
    CAS: 1246213-45-5 PubChem CID: 59544143 Formula: C26H30N2O5 Molecular Weight: 450.53
    ◐ Made to order · 8–12 wks Item #: D1017769
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    Technical Identifiers
    IUPAC Name
    [2,4-ditert-butyl-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate
    SMILES
    CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)OC(=O)OC)C(C)(C)C
    InChIKey
    BGYWKTZGOHFARN-UHFFFAOYSA-N
    InChI
    1S/C26H30N2O5/c1-25(2,3)17-12-18(26(4,5)6)21(33-24(31)32-7)13-20(17)28-23(30)16-14-27-19-11-9-8-10-15(19)22(16)29/h8-14H,1-7H3,(H,27,29)(H,28,30)
  9. 2,4-Decadienoic acid, (2E,4E)-
    CAS: 30361-33-2 EC Number: 250-149-2 PubChem CID: 5282782 Formula: C10H16O2 Molecular Weight: 168.23
    ◐ Made to order · 8–12 wks Item #: D1064964
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    Technical Identifiers
    IUPAC Name
    (2E,4E)-deca-2,4-dienoic acid
    SMILES
    CCCCCC=CC=CC(=O)O
    InChIKey
    YKHVVNDSWHSBPA-BLHCBFLLSA-N
    InChI
    1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6+,9-8+
  10. 2,3:4,5-Di-o-isopropylidene-d-arabinose
    CAS: 13039-93-5 PubChem CID: 10966305
    ◐ Made to order · 8–12 wks Item #: D961736
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    IUPAC Name
    (4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
    SMILES
    CC1(OCC(O1)C2C(OC(O2)(C)C)C=O)C
    InChIKey
    VFGWJIQTAFPNQZ-HLTSFMKQSA-N
    InChI
    1S/C11H18O5/c1-10(2)13-6-8(15-10)9-7(5-12)14-11(3,4)16-9/h5,7-9H,6H2,1-4H3/t7-,8-,9+/m1/s1
  11. 2,4'-(2-Pyridylmethylene)diphenol
    CAS: 16985-05-0 EC Number: 641-608-1 Formula: C18H15NO2 Molecular Weight: 277.300
    ◐ Made to order · 8–12 wks Item #: P972783
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    Technical Identifiers
    IUPAC Name
    2-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
    SMILES
    C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=CC=N3)O
    InChIKey
    IUAQDGAFHHTBPU-UHFFFAOYSA-N
    InChI
    1S/C18H15NO2/c20-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)21/h1-12,18,20-21H
  12. 2,6,8-trichloro-7-methyl-7H-purine
    CAS: 16404-16-3 EC Number: 867-445-8 Formula: C6H3Cl3N4 Molecular Weight: 237.500
    ◐ Made to order · 8–12 wks Item #: T1047912
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    IUPAC Name
    2,6,8-trichloro-7-methylpurine
    SMILES
    CN1C2=C(N=C(N=C2Cl)Cl)N=C1Cl
    InChIKey
    UMASKSWPRALKCL-UHFFFAOYSA-N
    InChI
    1S/C6H3Cl3N4/c1-13-2-3(7)10-5(8)11-4(2)12-6(13)9/h1H3
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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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