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).

Browse by type, application, or key specifications such as purity, grade, packaging, and handling requirements.

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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 (where available)—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. 6-Chloroimidazo[1,2-a]pyridine-2-carbohydrazide
    CAS: 119448-28-1 PubChem CID: 2763463 Formula: C8H7N4OCl Molecular Weight: 210.62
    ● In Stock — US warehouse, ships to EU* Item #: C349219
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    IUPAC Name
    6-chloroimidazo[1,2-a]pyridine-2-carbohydrazide
    SMILES
    C1=CC2=NC(=CN2C=C1Cl)C(=O)NN
    InChIKey
    IUCNOGHXJSSDJV-UHFFFAOYSA-N
    InChI
    1S/C8H7ClN4O/c9-5-1-2-7-11-6(8(14)12-10)4-13(7)3-5/h1-4H,10H2,(H,12,14)
    Synonyms
    AKOS005069700 | SB85950 | 6-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid hydrazide | 6-chloroimidazo[1,2-a]pyridine...
  2. M8 B hydrochloride
    CAS: 883976-12-3 Formula: C22H24N2O3S•HCl Molecular Weight: 433
    Solid ≥99%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: M288345
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    IUPAC Name
    N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide;hydrochloride
    SMILES
    COC1=C(C=CC(=C1)CN(CCN)C(=O)C2=CC=CS2)OCC3=CC=CC=C3.Cl
    InChIKey
    FMQJBHACRTZLME-UHFFFAOYSA-N
    InChI
    1S/C22H24N2O3S.ClH/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21;/h2-10,13-14H,11-12,15-16,23H2,1H3;1H
    Synonyms
    N-(2-Aminoethyl)-N-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-2-thiophenecarboxamide hydrochloride | N-(2-aminoethyl...
  3. 6-Chloro-chroman-4-ylamine hydrochloride
    CAS: 765880-61-3 Formula: C₉H₁₀ClNO·HCl Molecular Weight: 220.1
    ◐ .Made to order · 8–12 wks Item #: C348833
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    IUPAC Name
    6-chloro-3,4-dihydro-2H-chromen-4-amine
    SMILES
    C1COC2=C(C1N)C=C(C=C2)Cl
    InChIKey
    DLMNYSHJWHCTOD-UHFFFAOYSA-N
    InChI
    1S/C9H10ClNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2
    Synonyms
    AS-58859 | DLMNYSHJWHCTOD-UHFFFAOYSA-N | FT-0694787 | I11430 | 6-CHLORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE | SCHEMBL...
  4. Sodium salt of polynaphthalene sulphonic acid
    CAS: 36290-04-7 EC Number: 609-228-0 PubChem CID: 156594502 Formula: (C10H8O3S)n.(CH2O)n.xNa
    Solid ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: S303552
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    SMILES
    C=O.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.[Na]
    InChIKey
    IWQLXFICQJMUGN-UHFFFAOYSA-N
    InChI
    1S/C10H8O3S.CH2O.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-2;/h1-7H,(H,11,12,13);1H2;
    Synonyms
    formaldehyde naphthalene-2-sulfonic acid sodium | 2-Naphthalenesulfonic acid, polymer with formaldehyde (sodium)
  5. Epothilone A
    CAS: 152044-53-6 Formula: C26H39NO6S Molecular Weight: 493.66
    ● In Stock — US warehouse, ships to EU* Item #: E129776
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    IUPAC Name
    (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecashow more
    SMILES
    CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C
    InChIKey
    HESCAJZNRMSMJG-KKQRBIROSA-N
    InChI
    1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,show more
    Synonyms
    HY-13503 | BCP9000654 | CHEBI:94722 | (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-((E)-1-(2-met...
  6. 6-Ethoxy-2-propyl-4-quinolinol
    CAS: 1070879-92-3 PubChem CID: 39346187 Formula: C14H17NO2 Molecular Weight: 231.29
    ● In Stock — US warehouse, ships to EU* Item #: E348495
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    IUPAC Name
    6-ethoxy-2-propyl-1H-quinolin-4-one
    SMILES
    CCCC1=CC(=O)C2=C(N1)C=CC(=C2)OCC
    InChIKey
    UYJKXKJQZDESSJ-UHFFFAOYSA-N
    InChI
    1S/C14H17NO2/c1-3-5-10-8-14(16)12-9-11(17-4-2)6-7-13(12)15-10/h6-9H,3-5H2,1-2H3,(H,15,16)
    Synonyms
    AKOS006026203 | 6-Ethoxy-2-propyl-4-quinolinol | 6-Ethoxy-4-hydroxy-2-propylquinoline | DTXSID00653737 | 1070879-92-3...
  7. 6-Ethoxy-4-hydroxyquinoline-3-carboxylic acid ethyl ester
    CAS: 303121-08-6 Formula: C14H15NO4 Molecular Weight: 261.27
    ● In Stock — US warehouse, ships to EU* Item #: E348870
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    IUPAC Name
    ethyl 6-ethoxy-4-oxo-1H-quinoline-3-carboxylate
    SMILES
    CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)OCC
    InChIKey
    BDMLESWGGIPUTO-UHFFFAOYSA-N
    InChI
    1S/C14H15NO4/c1-3-18-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)19-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)
    Synonyms
    BDMLESWGGIPUTO-UHFFFAOYSA-N | AB09299 | ethyl6-ethoxy-4-hydroxyquinoline-3-carboxylate | MFCD01610200 | FT-0714666 | ...
  8. Aristolochic acid C
    CAS: 4849-90-5 EC Number: 683-126-4 Formula: C16H9NO7 Molecular Weight: 327.25
    ● In Stock — US warehouse, ships to EU* Item #: A275388
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    IUPAC Name
    10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
    SMILES
    C1OC2=C(O1)C3=C4C=C(C=CC4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O
    InChIKey
    NBFGYDJKTHENDP-UHFFFAOYSA-N
    InChI
    1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)
    Synonyms
    10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid | DTXSID00197540 | ARISTOLOCHICACIDC | Aristoloch...
  9. Polyphyllin B
    CAS: 50773-42-7 Formula: C51H82O20 Molecular Weight: 1015.18
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: P115738
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    IUPAC Name
    2-[4,5-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxshow more
    SMILES
    CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1
    InChIKey
    OZIHYFWYFUSXIS-UHFFFAOYSA-N
    InChI
    1S/C51H82O20/c1-20-10-15-51(62-19-20)21(2)32-30(71-51)17-29-27-9-8-25-16-26(11-13-49(25,6)28(27)12-14-50(29,32)7)66-48-44(70-46-39(59)36(56)34(54)23(4show more
    Synonyms
    NCI60_002618 | LS-15499 | DIOSGENIN TETRAGLYCOSIDE | DTXSID50965019 | 2-[4,5-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)...
  10. MAGNESIUM ALGINATE
    CAS: 37251-44-8 Formula: (C12H14MgO12)n
    Solid Technical grade ? Technical grade — industrial-quality purity with no tight impurity guarantees. Use for large-scale or non-critical processes where cost matters most.
    ◐ .Made to order · 8–12 wks Item #: M303578
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  11. Eslicarbazepine Acetate, Sodium channel alpha subunit blocker
    CAS: 236395-14-5 EC Number: 636-617-2 Formula: C17H16N2O3 Molecular Weight: 296.32
    ● In Stock — US warehouse, ships to EU* Item #: E133192
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    IUPAC Name
    [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate
    SMILES
    CC(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N
    InChIKey
    QIALRBLEEWJACW-INIZCTEOSA-N
    InChI
    1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1
    Synonyms
    5'-Chloro-alpha(sup 4)-(p-chlorophenyl)-alpha(sup 4)-cyano-3,5-diiodo-2',4'-salicyloxylidide | EN300-18665321 | (S)-(...
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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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