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).

136,944 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

2,814

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. TCS 3035
    CAS: 871085-49-3 Formula: C12H9NO5S Molecular Weight: 279.27
    ◐ .Made to order · 8–12 wks Item #: T287453
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    Technical Identifiers
    IUPAC Name
    2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
    SMILES
    C1=CC(=CC=C1C=C2C(=O)NC(=O)S2)OCC(=O)O
    InChIKey
    WXMCOLGPDOYHNK-UITAMQMPSA-N
    InChI
    1S/C12H9NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-5H,6H2,(H,14,15)(H,13,16,17)/b9-5-
    Synonyms
    2-[4-[(Z)-(2,4-Dioxo-5-thiazolidinylidene)methyl]phenoxyacetic acid | AKOS000287974 | BDBM50440034 | SCHEMBL6269580 |...
  2. ISCK03
    CAS: 945526-43-2 Formula: C19H21N3O2S Molecular Weight: 355.45
    ● In Stock — US Item #: I275737
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    IUPAC Name
    4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
    SMILES
    CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=CN=C3
    InChIKey
    XQABBHBFHWHMKF-UHFFFAOYSA-N
    InChI
    1S/C19H21N3O2S/c1-19(2,3)15-4-10-18(11-5-15)25(23,24)21-16-6-8-17(9-7-16)22-13-12-20-14-22/h4-14,21H,1-3H3
    Synonyms
    SCF/c-Kit Signaling Inhibitor | C77268 | HMS3229P07 | AC-35800 | t-Butylphenyl imidazolylphenyl sulfonamide | (4-t-bu...
  3. Zinc Phytate
    CAS: 63903-51-5 PubChem CID: 498066 Formula: C6H6O24P6Zn6 Molecular Weight: 1040.28
    Solid Zn:27%-34%
    ● In Stock — US Item #: Z304250
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    IUPAC Name
    hexazinc;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
    SMILES
    C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].show more
    InChIKey
    WYGJAFDJPBTRSB-UHFFFAOYSA-B
    InChI
    1S/C6H18O24P6.6Zn/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;/h1-6H,(H2,7,8,9)(H2,10,1show more
    Synonyms
    hexazinc;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate | hexazinc (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihyd...
  4. 6-Ethyl-2-methylquinoline
    CAS: 75403-23-5 Formula: C12H13N Molecular Weight: 171.24
    ◐ .Made to order · 8–12 wks Item #: E349268
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    IUPAC Name
    6-ethyl-2-methylquinoline
    SMILES
    CCC1=CC2=C(C=C1)N=C(C=C2)C
    InChIKey
    RJDKHMUUFKNIBW-UHFFFAOYSA-N
    InChI
    1S/C12H13N/c1-3-10-5-7-12-11(8-10)6-4-9(2)13-12/h4-8H,3H2,1-2H3
    Synonyms
    SCHEMBL8222983 | DTXSID10588884 | SCHEMBL10234988 | AKOS006282335 | FT-0729350 | 6-Ethyl-2-methylquinoline | AB45128 ...
  5. SKF38393 HCl
    CAS: 62717-42-4 EC Number: 622-150-1 Formula: C16H17NO2.HCl Molecular Weight: 291.78
    ● In Stock — US Item #: S304197
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    IUPAC Name
    5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrochloride
    SMILES
    C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.Cl
    InChIKey
    YEWHJCLOUYPAOH-UHFFFAOYSA-N
    InChI
    1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H
    Synonyms
    (y)-SKF-38393 hydrochloride | HY-12520A | ( inverted question mark)-1-Phenyl-2,3,4,5-tetrahydro-(1H)-3-benzazepine-7,...
  6. Zinc selenite
    CAS: 13597-46-1 PubChem CID: 159686 Formula: ZnSeO3 Molecular Weight: 192.33
    ● In Stock — US Item #: Z302481
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    Technical Identifiers
    IUPAC Name
    zinc;selenite
    SMILES
    [O-][Se](=O)[O-].[Zn+2]
    InChIKey
    PEUPCBAALXHYHP-UHFFFAOYSA-L
    InChI
    1S/H2O3Se.Zn/c1-4(2)3;/h(H2,1,2,3);/q;+2/p-2
    Synonyms
    zinc(II) selenite
  7. Zinc stannate
    CAS: 12036-37-2 PubChem CID: 82851 Formula: ZnSnO3 Molecular Weight: 232.1
    Sn≥46%
    ● In Stock — US Item #: Z302603
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    IUPAC Name
    zinc;dioxido(oxo)tin
    SMILES
    [O-][Sn](=O)[O-].[Zn+2]
    InChIKey
    BNEMLSQAJOPTGK-UHFFFAOYSA-N
    InChI
    1S/3O.Sn.Zn/q;2*-1;;+2
    Synonyms
    Tin zinc oxide (SnZnO3)|12036-37-2|TIN ZINC OXIDE|zinc;dioxido(oxo)tin|39467-17-9|Zinc stannate(IV)|Zinc stannate (ZS...
  8. G5
    CAS: 108477-18-5 Formula: C19H14N2O7S Molecular Weight: 414.4
    ◐ .Made to order · 8–12 wks Item #: G276270
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    IUPAC Name
    (3Z,5Z)-3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one
    SMILES
    C1C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])CS1(=O)=O
    InChIKey
    SSAMIOWVUGBIJK-KAVGSWPWSA-N
    InChI
    1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9+,16-10+
    Synonyms
    3,5-Bis[(4-nitrophenyl)methylene]-2,3,5,6-tetrahydro-4H-thiopyran-4-one-1,1-dioxide | 3,5-bis((4-Nitrophenyl)methylen...
  9. 6-Methoxy-2-Methyl-1H-Benz[de]Isoquinoline-1,3(2H)-Dione
    CAS: 3271-05-4 Formula: C14H11NO3 Molecular Weight: 241.24
    ● In Stock — US Item #: M303453
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    Technical Identifiers
    IUPAC Name
    6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione
    SMILES
    CN1C(=O)C2=C3C(=C(C=C2)OC)C=CC=C3C1=O
    InChIKey
    CNUWYNDMLFVRBU-UHFFFAOYSA-N
    InChI
    1S/C14H11NO3/c1-15-13(16)9-5-3-4-8-11(18-2)7-6-10(12(8)9)14(15)17/h3-7H,1-2H3
    Synonyms
    Mikawhite AT | Fluorescent Brightening Agent 162 | 4-methoxy-n-methyl-1,8-naphthalimide | C.I. 56190 | C.I. Fluoresce...
  10. Ethylhydrocupreine hydrochloride
    CAS: 3413-58-9 Formula: C21H29ClN2O2 Molecular Weight: 376.92
    ● In Stock — US Item #: E303479
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    IUPAC Name
    (R)-(6-ethoxyquinolin-4-yl)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride
    SMILES
    CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCC)O.Cl
    InChIKey
    QNRATNLHPGXHMA-XZHTYLCXSA-N
    InChI
    1S/C21H28N2O2.ClH/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19;/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3;1H/show more
    Synonyms
    Cinchonan-9-ol, 6'-ethoxy-10,11-dihydro-, monohydrochloride, (8.alpha.,9R)- | NSC 5361 | QNRATNLHPGXHMA-XZHTYLCXSA-N ...
  11. Biliverdin hydrochloride
    CAS: 856699-18-8 EC Number: 998-783-5 Formula: C33H34N4O6•HCl Molecular Weight: 619.12
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ● In Stock — US Item #: B339434
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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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