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

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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. 3,4-Dihydroxypropiophenone
    CAS: 7451-98-1 Formula: C9H10O3 Molecular Weight: 166.18
    ● In Stock — US warehouse, ships to EU* Item #: D353594
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    Technical Identifiers
    IUPAC Name
    1-(3,4-dihydroxyphenyl)propan-1-one
    SMILES
    CCC(=O)C1=CC(=C(C=C1)O)O
    InChIKey
    HNWIHBDMOYWCGX-UHFFFAOYSA-N
    InChI
    1S/C9H10O3/c1-2-7(10)6-3-4-8(11)9(12)5-6/h3-5,11-12H,2H2,1H3
    Synonyms
    Propiophenone, 3',4'-dihydroxy- | 4-Propionylbrenzcatechin | 1-Propanone,1-(3,4-dihydroxyphenyl)- | 1-(3,4-Dihydroxyp...
  2. 3,4,5,6-tetrakis(carbazol-9-yl)-1,2-dicyanobenzene
    CAS: 1416881-51-0 PubChem CID: 101136487 Formula: C56H32N6 Molecular Weight: 788.27
    ● In Stock — US warehouse, ships to EU* Item #: T302841
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    IUPAC Name
    3,4,5,6-tetra(carbazol-9-yl)benzene-1,2-dicarbonitrile
    SMILES
    C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4C#N)C#N)N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18)N1C2=CC=CC=C2C2=CC=CC=C21
    InChIKey
    QMXFUIUEGUOSEV-UHFFFAOYSA-N
    InChI
    1S/C56H32N6/c57-33-43-44(34-58)54(60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)55(61-49-29-13-5-21-3show more
  3. 3,4-Dihydroxybenzaldehyde
    CAS: 139-85-5 EC Number: 205-377-7 Formula: C7H6O3 Molecular Weight: 138.12
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D421490
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    Technical Identifiers
    IUPAC Name
    3,4-dihydroxybenzaldehyde
    SMILES
    C1=CC(=C(C=C1C=O)O)O
    InChIKey
    IBGBGRVKPALMCQ-UHFFFAOYSA-N
    InChI
    1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
    Synonyms
    3,4-DHBAOP | 4,5-Dihydroxybenzaldehyde | NCGC00180319-01 | MEGxm0_000158 | PS-5533 | ACon1_001620 | UNII-4PVP2HCH4T |...
  4. 3,6-dibromobenzene-1,2-diamine
    CAS: 69272-50-0 EC Number: 875-629-4 Formula: C6H6Br2N2 Molecular Weight: 265.93
    ● In Stock — US warehouse, ships to EU* Item #: D304411
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    Technical Identifiers
    IUPAC Name
    3,6-dibromobenzene-1,2-diamine
    SMILES
    C1=CC(=C(C(=C1Br)N)N)Br
    InChIKey
    VPMJBJSLTPBZLR-UHFFFAOYSA-N
    InChI
    1S/C6H6Br2N2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,9-10H2
    Synonyms
    3,6-dibromo-benzene-1,2-diamine | 3,6-dibromobenzene-1,2-diamine | 3,6-dibromo-o-phenylenediamine | SY029039 | SCHEMB...
  5. 3,5-Dibromo-biphenyl
    CAS: 16372-96-6 Formula: C12H8Br2 Molecular Weight: 312
    ● In Stock — US warehouse, ships to EU* Item #: D305098
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    IUPAC Name
    1,3-dibromo-5-phenylbenzene
    SMILES
    C1=CC=C(C=C1)C2=CC(=CC(=C2)Br)Br
    InChIKey
    HIHYAKDOWUFGBK-UHFFFAOYSA-N
    InChI
    1S/C12H8Br2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H
    Synonyms
    3,5-Dibromo-1,1'-biphenyl|16372-96-6|3,5-dibromobiphenyl|1,1'-Biphenyl, 3,5-dibromo-|3,5-Dibromo-biphenyl|3,5-DIBROMO...
  6. 3,6'-Disinapoyl sucrose
    CAS: 139891-98-8 PubChem CID: 11968389 Formula: C34H42O19 Molecular Weight: 754.69
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D421491
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    Technical Identifiers
    IUPAC Name
    [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-show more
    SMILES
    COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)OC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)CO)O)O)O
    InChIKey
    FHIJMQWMMZEFBL-OPSYHMPNSA-N
    InChI
    1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20show more
    Synonyms
    (Z/E)-3 inverted exclamation marka,6-Disinapoylsucrose | AKOS030530164 | .ALPHA.-D-GLUCOPYRANOSIDE, 3-O-((2E)-3-(4-HY...
  7. 3,6-Dimethoxypyridazine
    CAS: 4603-59-2 Formula: C6H8N2O2 Molecular Weight: 140.14
    ● In Stock — US warehouse, ships to EU* Item #: D303761
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    Technical Identifiers
    IUPAC Name
    3,6-dimethoxypyridazine
    SMILES
    COC1=NN=C(C=C1)OC
    InChIKey
    HKQOBAGKDBSVEQ-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O2/c1-9-5-3-4-6(10-2)8-7-5/h3-4H,1-2H3
    Synonyms
    Pyridazine, 3,6-dimethoxy- (8CI)(9CI) | NSC69820 | NSC-69820 | DTXSID80196692 | Pyridazine, 3,6-dimethoxy- | C75238 |...
  8. 3,5-Diphenyl-1H-1,2,4-triazole
    CAS: 2039-06-7 Formula: C14H11N3 Molecular Weight: 221.26
    ● In Stock — US warehouse, ships to EU* Item #: D302725
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    Technical Identifiers
    IUPAC Name
    3,5-diphenyl-1H-1,2,4-triazole
    SMILES
    C1=CC=C(C=C1)C2=NC(=NN2)C3=CC=CC=C3
    InChIKey
    KPKQWXGFEKRQQA-UHFFFAOYSA-N
    InChI
    1S/C14H11N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)
    Synonyms
    Z1695709418 | s-Triazole, 3,5-diphenyl- | D94929 | WV4QRC6HBM | AKOS003646246 | 1H-3,5-Diphenyl-1,2,4-triazole | BDBM...
  9. 3,5-Dibromobenzyl alcohol
    CAS: 145691-59-4 EC Number: 642-519-0 Formula: C7H6Br2O Molecular Weight: 265.93
    ● In Stock — US warehouse, ships to EU* Item #: D302903
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    Technical Identifiers
    IUPAC Name
    (3,5-dibromophenyl)methanol
    SMILES
    C1=C(C=C(C=C1Br)Br)CO
    InChIKey
    ZQNSHKZQTZSNTB-UHFFFAOYSA-N
    InChI
    1S/C7H6Br2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
    Synonyms
    (3,5-Dibromophenyl)Methanol | DTXSID10426555 | SCHEMBL112048 | 3,5-Dibromobenzylalcohol | FT-0614512 | CK1125 | AC-26...
  10. 3,6'-Disinapoyl sucrose
    CAS: 139891-98-8 PubChem CID: 11968389 Formula: C34H42O19 Molecular Weight: 754.69
    ● In Stock — US warehouse, ships to EU* Item #: D414395
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    Technical Identifiers
    IUPAC Name
    [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-show more
    SMILES
    COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)OC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)CO)O)O)O
    InChIKey
    FHIJMQWMMZEFBL-OPSYHMPNSA-N
    InChI
    1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20show more
    Synonyms
    (Z/E)-3 inverted exclamation marka,6-Disinapoylsucrose | AKOS030530164 | .ALPHA.-D-GLUCOPYRANOSIDE, 3-O-((2E)-3-(4-HY...
  11. 3,5-Diiodothyroacetic Acid
    CAS: 1155-40-4 Formula: C14H10I2O4 Molecular Weight: 496.04
    ● In Stock — US warehouse, ships to EU* Item #: D351896
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    IUPAC Name
    2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetic acid
    SMILES
    C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(=O)O)I
    InChIKey
    KKJBNMLZBHFYAE-UHFFFAOYSA-N
    InChI
    1S/C14H10I2O4/c15-11-5-8(7-13(18)19)6-12(16)14(11)20-10-3-1-9(17)2-4-10/h1-6,17H,7H2,(H,18,19)
    Synonyms
    EINECS 214-582-0 | 4-(4-Hydroxyphenoxy)-3,5-diiodophenylacetic acid | US10322118, Entry 3 | PD057807 | BCP34165 | BDB...
  12. 3-(2-(3-Ethoxy-3-oxopropoxy)ethoxy)propanoic acid
    CAS: 886362-90-9 Formula: C10H18O6 Molecular Weight: 234.25
    ● In Stock — US warehouse, ships to EU* Item #: E304835
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    Technical Identifiers
    IUPAC Name
    3-[2-(3-ethoxy-3-oxopropoxy)ethoxy]propanoic acid
    SMILES
    CCOC(=O)CCOCCOCCC(=O)O
    InChIKey
    KEGUKRRJONEXNN-UHFFFAOYSA-N
    InChI
    1S/C10H18O6/c1-2-16-10(13)4-6-15-8-7-14-5-3-9(11)12/h2-8H2,1H3,(H,11,12)
    Synonyms
    MFCD04115349 | 3-[2-(3-Ethoxy-3-oxopropoxy)ethoxy]propionic Acid | Acid-PEG2-ethyl propionate | 3-[2-(3-ethoxy-3-oxop...
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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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