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

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 —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. Manogepix (E1210)
    CAS: 936339-60-5 EC Number: 811-768-9 Formula: C21H18N4O2 Molecular Weight: 358.39
    ● In Stock — US warehouse, ships to EU* Item #: M412419
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    Technical Identifiers
    IUPAC Name
    3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
    SMILES
    C1=CC=NC(=C1)OCC2=CC=C(C=C2)CC3=NOC(=C3)C4=C(N=CC=C4)N
    InChIKey
    WSEKTEUGRLFBSE-UHFFFAOYSA-N
    InChI
    1S/C21H18N4O2/c22-21-18(4-3-11-24-21)19-13-17(25-27-19)12-15-6-8-16(9-7-15)14-26-20-5-1-2-10-23-20/h1-11,13H,12,14H2,(H2,22,24)
    Synonyms
    APX001A | APX-001A | E-1210; E 1210; APX001A; APX-001-A; APX 001 A | Q15410951 | SCHEMBL510522 | (3-(3-(4-(((Pyridin-...
  2. Maprotiline HCl, Norepinephrine transporter inhibitor
    CAS: 10347-81-6 EC Number: 233-758-8 Formula: C20H23N·HCl Molecular Weight: 313.86
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: M408267
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    Synonyms
    N-​methyl-​9,​10-​ethanoanthracene-​9(10H)​-​propanamine,hydrochloride (1:1)
  3. Maraviroc (UK-427857), C-C chemokine receptor type 5 antagonist
    CAS: 376348-65-1 EC Number: 609-456-0 Formula: C29H41F2N5O Molecular Weight: 513.67
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: M407991
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    Synonyms
    4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)...
  4. Manidipine
    CAS: 89226-50-6 EC Number: 855-394-4 Formula: C35H38N4O6 Molecular Weight: 610.699
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: M408490
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    Synonyms
    1,​4-​dihydro-​2,​6-​dimethyl-​4-​(3-​nitrophenyl)​-3,​5-​pyridinedicarboxylic acid 3-​[2-​[4-​(diphenylmethyl)​-​1-​...
  5. Manidipine 2HCl
    CAS: 89226-75-5 EC Number: 680-304-3 PubChem CID: 150762 Formula: C35H38N4O6·2HCl Molecular Weight: 683.62
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: M408363
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    Technical Identifiers
    Synonyms
    CV-4093 | 1,​4-​dihydro-​2,​6-​dimethyl-​4-​(3-​nitrophenyl)​-3,​5-​pyridinedicarboxylic acid 3-​[2-​[4-​(diphenylmet...
  6. Marbofloxacin
    CAS: 115550-35-1 EC Number: 640-416-5 Formula: C17H19FN4O4 Molecular Weight: 362.36
    2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: M420732
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    Technical Identifiers
    IUPAC Name
    7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
    SMILES
    CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F
    InChIKey
    BPFYOAJNDMUVBL-UHFFFAOYSA-N
    InChI
    1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)
    Synonyms
    BM164656 | CCG-229989 | Marbofloxacin | Marbofloxacin for peak identification, European Pharmacopoeia (EP) Reference ...
  7. Mavacoxib
    CAS: 170569-88-7 Formula: C16H11F4N3O2S Molecular Weight: 385.34
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: M422104
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    IUPAC Name
    4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
    SMILES
    C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)F
    InChIKey
    TTZNQDOUNXBMJV-UHFFFAOYSA-N
    InChI
    1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
    Synonyms
    YFT7X7SR77 | BRETAZENIL [INN] | SCHEMBL212699 | MFCD28138640 | PHA-739521 | BDBM50057564 | UNII-YFT7X7SR77 | Mavacoxi...
  8. Malvinidol Chloride
    CAS: 643-84-5 Formula: C17H15O7•Cl Molecular Weight: 331.303545
    ◐ .Made to order · 8–12 wks Item #: M304262
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    IUPAC Name
    2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol;chloride
    SMILES
    COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]
    InChIKey
    KQIKOUUKQBTQBE-UHFFFAOYSA-N
    InChI
    1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7H,1-2H3,(H3-,18,19,20,21);1H
    Synonyms
    1-Benzopyrylium,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride | Flavylium,4',5,7-tetrahydroxy-3',5'-dim...
  9. Matrine
    CAS: 519-02-8 EC Number: 610-750-6 Formula: C15H24N2O Molecular Weight: 248.36
    Solid 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 #: M109802
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    IUPAC Name
    (1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
    SMILES
    C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1
    InChIKey
    ZSBXGIUJOOQZMP-JLNYLFASSA-N
    InChI
    1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1
    Synonyms
    1H,5H,10H-DIPYRIDO(2,1-F:3',2',1'-IJ)(1,6)NAPHTHYRIDIN-10-ONE, DODECAHYDRO-, (7AS,13AR,13BR,13CS)- | alpha-Matrine | ...
  10. Mavacoxib
    CAS: 170569-88-7 Formula: C16H11F4N3O2S Molecular Weight: 385.34
    ● In Stock — US warehouse, ships to EU* Item #: M413585
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
    SMILES
    C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)F
    InChIKey
    TTZNQDOUNXBMJV-UHFFFAOYSA-N
    InChI
    1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
    Synonyms
    YFT7X7SR77 | BRETAZENIL [INN] | SCHEMBL212699 | MFCD28138640 | PHA-739521 | BDBM50057564 | UNII-YFT7X7SR77 | Mavacoxi...
  11. Marinopyrrole A (Maritoclax)
    CAS: 1227962-62-0 EC Number: 110-447-4 Formula: C22H12Cl4N2O4 Molecular Weight: 510.15
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: M420981
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    Technical Identifiers
    IUPAC Name
    [4,5-dichloro-1-[4,5-dichloro-2-(2-hydroxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]-(2-hydroxyphenyl)methanone
    SMILES
    C1=CC=C(C(=C1)C(=O)C2=CC(=C(N2C3=C(NC(=C3Cl)Cl)C(=O)C4=CC=CC=C4O)Cl)Cl)O
    InChIKey
    QYPJBTMRYKRTFG-UHFFFAOYSA-N
    InChI
    1S/C22H12Cl4N2O4/c23-12-9-13(19(31)10-5-1-3-7-14(10)29)28(22(12)26)18-16(24)21(25)27-17(18)20(32)11-6-2-4-8-15(11)30/h1-9,27,29-30H
    Synonyms
    Methanone,1,1'-[(1R)-4,4',5,5'-tetrachloro[1,3'-bi-1H-pyrrole]-2,2'-diyl]bis[1-(2-hydroxyphenyl)-
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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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