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. Soluble beta cyclodextrin polymer
    CAS: 25655-42-9 Formula: C9H17ClO7 Molecular Weight: 272.68
    BioReagent ? BioReagent grade — tested suitable for life-science and molecular-biology use. Use for cell culture, assays, and biochemical work needing biological compatibility.
    ● In Stock — US warehouse, ships to EU* Item #: S303244
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  2. Somatostatin
    CAS: 51110-01-1 PubChem CID: 16129681 Formula: C76H104N18O19S2 Molecular Weight: 1637.89
    ● In Stock — US warehouse, ships to EU* Item #: S275022
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    IUPAC Name
    19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-(2-aminopropanoylamino)acetyl]amino]-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymetshow more
    SMILES
    CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)show more
    InChIKey
    NHXLMOGPVYXJNR-UHFFFAOYSA-N
    InChI
    1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12show more
    Synonyms
    AGCKNFFWKTFTSC (modifications: Disulfide bridge between 3 - 14) | AKOS015896026 | BCA11001 | SCHEMBL3046327 | SOMATOS...
  3. Epoxiconazole
    CAS: 106325-08-0 Formula: C17H13ClFN3O Molecular Weight: 329.76
    ● In Stock — US warehouse, ships to EU* Item #: E276054
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    IUPAC Name
    1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
    SMILES
    C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl
    InChIKey
    ZMYFCFLJBGAQRS-IAGOWNOFSA-N
    InChI
    1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1
    Synonyms
    CHEBI:4811 | ZMYFCFLJBGAQRS-IAGOWNOFSA-N | 1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazol...
  4. HA14-1
    CAS: 65673-63-4 Formula: C17H17BrN2O5 Molecular Weight: 409.23
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: H126914
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    IUPAC Name
    ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
    SMILES
    CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)Br)N
    InChIKey
    SXJDCULZDFWMJC-UHFFFAOYSA-N
    InChI
    1S/C17H17BrN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13H,3-4,20H2,1-2H3
    Synonyms
    2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester | NCGC00025207-02 | NCG...
  5. Methylidintri-p-phenylen triisocyanate
    CAS: 2422-91-5 EC Number: 219-351-8 PubChem CID: 75500 Formula: C22H13N3O3 Molecular Weight: 367.36
    Liquid 20% in Chlorobenzene
    ● In Stock — US warehouse, ships to EU* Item #: M303165
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    Synonyms
    1,1',1''-Methylidynetris[4-isocyanato-benzene;Triphenylmethane-4,4',4''-triisocyanate;Tris(4-isocyanatophenyl)methane
  6. Stat5 Inhibitor
    CAS: 285986-31-4 PubChem CID: 9566174 Formula: C16H11N3O3 Molecular Weight: 293.28
    ● In Stock — US warehouse, ships to EU* Item #: S339995
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    IUPAC Name
    N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
    SMILES
    C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)C3=CN=CC=C3
    InChIKey
    DAVIKTBRCQWOGT-GIJQJNRQSA-N
    InChI
    1S/C16H11N3O3/c20-15-12(10-22-14-6-2-1-5-13(14)15)9-18-19-16(21)11-4-3-7-17-8-11/h1-10H,(H,19,21)/b18-9+
    Synonyms
    STAT5-IN-1
  7. Stattic
    CAS: 19983-44-9 EC Number: 633-746-6 PubChem CID: 2779853 Formula: C8H5NO4S Molecular Weight: 211.19
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: S129623
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    IUPAC Name
    6-nitro-1-benzothiophene 1,1-dioxide
    SMILES
    C1=CC(=CC2=C1C=CS2(=O)=O)[N+](=O)[O-]
    InChIKey
    ZRRGOUHITGRLBA-UHFFFAOYSA-N
    InChI
    1S/C8H5NO4S/c10-9(11)7-2-1-6-3-4-14(12,13)8(6)5-7/h1-5H
    Synonyms
    C8H5NO4S | FT-0621264 | HY-13818 | PB27460 | CCG-222352 | DTXSID70381575 | EC-000.2451 | HMS556B22 | 6-nitro-1lambda6...
  8. Guanosine 3',5'-cyclic monophosphate sodium salt (cGMP)
    CAS: 40732-48-7 Formula: C10H11N5NaO7P Molecular Weight: 367.19
    Solid ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: G276529
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    IUPAC Name
    sodium;9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-1H-purin-6-one
    SMILES
    C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)[O-].[Na+]
    InChIKey
    KMPIYXNEROUNOG-GWTDSMLYSA-M
    InChI
    1S/C10H12N5O7P.Na/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6;/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17);/q;+1/p-1/t3-,5-show more
    Synonyms
    BDBM11316 | Guanosine Monophosphate Monosodium Salt | Q27265640 | 6WYT1TNR45 | Guanosine-3':5'-cyclic monophosphate m...
  9. Ibuprofen Lysine, Cyclooxygenase inhibitor
    CAS: 57469-77-9 Formula: C19H32N2O4 Molecular Weight: 352.47
    ● In Stock — US warehouse, ships to EU* Item #: I129329
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    IUPAC Name
    (2S)-2,6-diaminohexanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
    SMILES
    CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(CCN)CC(C(=O)O)N
    InChIKey
    IHHXIUAEPKVVII-ZSCHJXSPSA-N
    InChI
    1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
    Synonyms
    HY-100586 | L-LYSINE, MONO(.ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE) | Solufenum | L-Lysine mono(4-isobutyl-al...
  10. Thalidomide-OH
    CAS: 5054-59-1 Formula: C13H10N2O5 Molecular Weight: 274.23
    ● In Stock — US warehouse, ships to EU* Item #: T303826
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    IUPAC Name
    2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
    SMILES
    C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)O
    InChIKey
    XMPJICVFSDYOEG-UHFFFAOYSA-N
    InChI
    1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)
    Synonyms
    SY233142 | 4-hydroxy-2-(2,6-dioxo(3-piperidyl))isoindoline-1,3-dione | US11059801, Compound D-1 | ZKA69498 | 2-(2,6-d...
  11. Imetit dihydrobromide
    CAS: 32385-58-3 EC Number: 636-517-9 Formula: C6H10N4S.2HBr Molecular Weight: 332.06
    ● In Stock — US warehouse, ships to EU* Item #: I274625
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    IUPAC Name
    2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide
    SMILES
    C1=C(NC=N1)CCSC(=N)N.Br.Br
    InChIKey
    DOBOYMKCRRLTRF-UHFFFAOYSA-N
    InChI
    1S/C6H10N4S.2BrH/c7-6(8)11-2-1-5-3-9-4-10-5;;/h3-4H,1-2H2,(H3,7,8)(H,9,10);2*1H
    Synonyms
    HY-101173 | SCHEMBL7974417 | Tox21_500645 | Carbamimidothioic acid,2-(1H-imidazol-5-yl)ethyl ester | Oleato de monoet...
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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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