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. Methocarbamol, Carbonic anhydrase I inhibitor
    CAS: 532-03-6 EC Number: 208-524-3 Formula: C11H15NO5 Molecular Weight: 241.24
    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 #: M408331
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    Synonyms
    AHR 85 | 3-​(2-​methoxyphenoxy)​-1,​2-​propanediol-1-​carbamate
  2. Methocarbamol-d5
    CAS: 1189699-70-4 Formula: C11H10D5NO5 Molecular Weight: 246.27
    ◐ .Made to order · 8–12 wks Item #: M380824
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    IUPAC Name
    [1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate
    SMILES
    COC1=CC=CC=C1OCC(COC(=O)N)O
    InChIKey
    GNXFOGHNGIVQEH-RORPNYJOSA-N
    InChI
    1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/i6D2,7D2,8D
    Synonyms
    HY-B0262S | [1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate | AKOS040744285 | DTXSID60676008...
  3. Methotrexate (CL-14377)
    CAS: 59-05-2 EC Number: 200-413-8 PubChem CID: 126941 Formula: C20H22N8O5 Molecular Weight: 454.44
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: M408860
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    Synonyms
    NCI-C04671, Amethopterin, WR19039 | N-​[4-​[[(2,​4-​diamino-​6-​pteridinyl)​methyl]​methylamino]​benzoyl]​-L-​glutamic
  4. Methotrexate disodium salt, Dihydrofolate reductase inhibitor
    CAS: 7413-34-5 EC Number: 231-022-0 Formula: C20H20N8Na2O5 Molecular Weight: 498.4
    10mM in Water
    ● In Stock — US warehouse, ships to EU* Item #: M425767
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    IUPAC Name
    disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
    SMILES
    CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
    InChIKey
    DASQOOZCTWOQPA-GXKRWWSZSA-L
    InChI
    1S/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(H,25,3show more
    Synonyms
    Methotrexate disodium salt|7413-34-5|methotrexate disodium|METHOTREXATE SODIUM|Sodium methotrexate|Disodium methotrex...
  5. Methyl 2-Methyl-3,5-dinitrobenzoate
    CAS: 52090-24-1 Formula: C9H8N2O6 Molecular Weight: 240.17
    ● In Stock — US warehouse, ships to EU* Item #: D303879
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    IUPAC Name
    methyl 2-methyl-3,5-dinitrobenzoate
    SMILES
    CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OC
    InChIKey
    ISOMVMHVOAAAJX-UHFFFAOYSA-N
    InChI
    1S/C9H8N2O6/c1-5-7(9(12)17-2)3-6(10(13)14)4-8(5)11(15)16/h3-4H,1-2H3
    Synonyms
    2-methyl-3,5-dinitrobenzoic acid methyl ester | 2-Methyl-3,5-dinitro-benzoic acid methyl ester | A828918 | ISOMVMHVOA...
  6. Methyl 10(E), 12(Z)-octadecadienoate
    CAS: 21870-97-3 Formula: C19H34O2 Molecular Weight: 294.5
    ◐ .Made to order · 8–12 wks Item #: M275692
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    IUPAC Name
    methyl (10E,12Z)-octadeca-10,12-dienoate
    SMILES
    CCCCCC=CC=CCCCCCCCCC(=O)OC
    InChIKey
    KMXSXYSNZMSDFK-UQGDGPGGSA-N
    InChI
    1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-10H,3-6,11-18H2,1-2H3/b8-7-,10-9+
    Synonyms
    (10E,12Z)-Methyl linoleate | T10,C12-cla methyl ester | (10E,12Z)-10,12-Octadecadienoic acid methyl ester | SCHEMBL56...
  7. Methyl 12-methyltridecanoate
    CAS: 5129-58-8 Formula: C15H30O2 Molecular Weight: 242.4
    ◐ .Made to order · 8–12 wks Item #: M276521
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    IUPAC Name
    methyl 12-methyltridecanoate
    SMILES
    CC(C)CCCCCCCCCCC(=O)OC
    InChIKey
    FLESKWMKPOBWDE-UHFFFAOYSA-N
    InChI
    1S/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
    Synonyms
    Methyl isomyristate | Q27274373 | 12-Methyltridecanoic acid methyl ester | DTXSID20199288 | METHYL12-METHYLTRIDECANOA...
  8. Methyl 3-hydroxydodecanoate
    CAS: 85464-97-7 Formula: C13H26O3 Molecular Weight: 230.34
    ● In Stock — US warehouse, ships to EU* Item #: M276271
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    IUPAC Name
    methyl 3-hydroxydodecanoate
    SMILES
    CCCCCCCCCC(CC(=O)OC)O
    InChIKey
    OZXCINYANGIBDB-UHFFFAOYSA-N
    InChI
    1S/C13H26O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h12,14H,3-11H2,1-2H3
    Synonyms
    Methyl 3-hydroxydodecanoate | Dodecanoic acid, 3-hydroxy, methyl ester | Dodecanoic acid, 3-hydroxy-, methyl ester | ...
  9. Methyl 3-hydroxyoctanoate
    CAS: 85549-54-8 Formula: C9H18O3 Molecular Weight: 174.24
    ● In Stock — US warehouse, ships to EU* Item #: M275874
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    Technical Identifiers
    IUPAC Name
    methyl 3-hydroxyoctanoate
    SMILES
    CCCCCC(CC(=O)OC)O
    InChIKey
    FHWBTAQRRDZDIY-UHFFFAOYSA-N
    InChI
    1S/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3
    Synonyms
    DTXSID70276098 | DL-B-HYDROXYCAPRYLIC ACID METHYL ESTER | Methyl 3-hydroxyoctanoate | 3-Hydroxy C8:0 methyl ester | O...
  10. Methyl 5-((3aR,4R,6aS)-rel-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
    CAS: 60562-11-0 Formula: C11H18N2O3S Molecular Weight: 258.34
    ● In Stock — US warehouse, ships to EU* Item #: M304119
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    IUPAC Name
    methyl 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
    SMILES
    COC(=O)CCCCC1C2C(CS1)NC(=O)N2
    InChIKey
    BHEWJAXNLVWPSC-NQMVMOMDSA-N
    InChI
    1S/C11H18N2O3S/c1-16-9(14)5-3-2-4-8-10-7(6-17-8)12-11(15)13-10/h7-8,10H,2-6H2,1H3,(H2,12,13,15)/t7-,8-,10-/m1/s1
    Synonyms
    (±)-Biotin methyl ester
  11. Methyl 5-acetylaminolevulinate
    CAS: 93393-93-2 Formula: C8H13NO4 Molecular Weight: 187.19
    ● In Stock — US warehouse, ships to EU* Item #: M335018
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    IUPAC Name
    methyl 5-acetamido-4-oxopentanoate
    SMILES
    CC(=O)NCC(=O)CCC(=O)OC
    InChIKey
    ODTLWRJIPVEESK-UHFFFAOYSA-N
    InChI
    1S/C8H13NO4/c1-6(10)9-5-7(11)3-4-8(12)13-2/h3-5H2,1-2H3,(H,9,10)
    Synonyms
    FT-0693566 | DTXSID50341718 | AKOS006328612 | 5-acetamido-4-oxopentanoic acid methyl ester | SCHEMBL15856270 | METHYL...
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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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