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. Afatinib
    CAS: 439081-18-2 Formula: C24H25ClFN5O3 Molecular Weight: 485.94
    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 #: A401422
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    IUPAC Name
    (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
    SMILES
    CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4
    InChIKey
    ULXXDDBFHOBEHA-CWDCEQMOSA-N
    InChI
    1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,show more
    Synonyms
    (2E)-N-(4-(3-chloro-4-fluoroanilino)-7-(((3S)-oxolan-3-yl)oxy)quinoxazolin-6-yl)-4-(dimethylamino)but-2-enamide | AFA...
  2. Adenosine, periodate oxidized
    CAS: 34240-05-6 Formula: C10H11N5O4 Molecular Weight: 265.23
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A423496
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    IUPAC Name
    2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
    SMILES
    C1=NC(=C2C(=N1)N(C=N2)C(C=O)OC(CO)C=O)N
    InChIKey
    ILMNSCQOSGKTNZ-UHFFFAOYSA-N
    InChI
    1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)
    Synonyms
    Adenosine dialdehyde | alpha-(Hydroxymethyl)-alpha'-(6-aminopurin-9-yl)diglycolaldehyde | ADOX | s8608 | HY-123055 | ...
  3. Albendazole (SKF-62979), Tubulin inhibitor
    CAS: 54965-21-8 EC Number: 259-414-7 Formula: C12H15N3O2S Molecular Weight: 265.33
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A409287
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    Synonyms
    N-​[6-​(propylthio)​-​1H-​benzimidazol-​2-​yl]​-carbamic acid methyl ester
  4. Ailanthone
    CAS: 981-15-7 EC Number: 683-145-8 Formula: C20H24O7 Molecular Weight: 376.40
    Solid ≥98%(HPLC)
    ◐ .Made to order · 8–12 wks Item #: A286967
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    IUPAC Name
    (1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dionshow more
    SMILES
    CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(=C)C4CC(=O)O3)O)(OC5)O)C)O
    InChIKey
    WBBVXGHSWZIJST-RLQYZCPESA-N
    InChI
    1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+show more
    Synonyms
    o13-Dehydrochaparrinoneo13-Dehydrochaparrinone | 2H-1,11c-(Epoxymethano)phenanthro(10,1-bc)pyran-5,10(3H,6ah)-dione, ...
  5. Ajmaline
    CAS: 4360-12-7 EC Number: 224-439-4 Formula: C20H26N2O2 Molecular Weight: 326.43
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A423961
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    IUPAC Name
    (1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
    SMILES
    CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C
    InChIKey
    CJDRUOGAGYHKKD-RQBLFBSQSA-N
    InChI
    1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-show more
    Synonyms
    (+)-Ajmaline|4360-12-7|Ajmalan-17,21-diol, (17R,21a)-|Ajmalin|Ajmaline|Cardiorythmine|Gilurytmal|Ignazin|Merabitol|NS...
  6. Afloqualone
    CAS: 56287-74-2 Formula: C16H14FN3O Molecular Weight: 283.3
    ● In Stock — US warehouse, ships to EU* Item #: A353259
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    IUPAC Name
    6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
    SMILES
    CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CF
    InChIKey
    VDOSWXIDETXFET-UHFFFAOYSA-N
    InChI
    1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3
    Synonyms
    6-amino-2-(fluoromethyl)-3-(o-tolyl)quinazolin-4(3H)-one | 6-Amino-2-(fluoromethyl)-3-o-tolyl-4(3H)-quinazolinone | 2...
  7. Ala-Glu-OH
    CAS: 13187-90-1 Formula: C8H14N2O5 Molecular Weight: 218.21
    ● In Stock — US warehouse, ships to EU* Item #: A353924
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    IUPAC Name
    (2S)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid
    SMILES
    CC(C(=O)NC(CCC(=O)O)C(=O)O)N
    InChIKey
    VYZAGTDAHUIRQA-WHFBIAKZSA-N
    InChI
    1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1
    Synonyms
    C20958 | L-Glutamic acid, N-L-alanyl- | CCRIS 306 | AlaGlu | ALA-GLU | ALANINE GLUTAMATE [INCI] | DTXSID70927376 | S-...
  8. Albendazole Oxide
    CAS: 54029-12-8 EC Number: 628-805-8 Formula: C12H15N3O3S Molecular Weight: 281.33
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408634
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    Synonyms
    Ricobendazole | N-​[6-​(propylsulfinyl)​-​1H-​benzimidazol-​2-​yl]​-carbamic acid methyl ester
  9. Agarotetrol
    CAS: 69809-22-9 Formula: C17H18O6 Molecular Weight: 318.32
    ● In Stock — US warehouse, ships to EU* Item #: A412874
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    Technical Identifiers
    IUPAC Name
    (5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
    SMILES
    C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O
    InChIKey
    CWMIROLCTHMEEO-JJXSEGSLSA-N
    InChI
    1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15+,16-/m0/s1
    Synonyms
    4H-​1-​Benzopyran-​4-​one,5,​6,​7,​8-​tetrahydro-​5,​6,​7,​8-​tetrahydroxy-​2-​(2-​phenylethyl)​-​,(5S,​6R,​7R,​8S)​-
  10. Agarotetrol
    CAS: 69809-22-9 Formula: C17H18O6 Molecular Weight: 318.32
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A425584
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    Technical Identifiers
    IUPAC Name
    (5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
    SMILES
    C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O
    InChIKey
    CWMIROLCTHMEEO-JJXSEGSLSA-N
    InChI
    1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15+,16-/m0/s1
    Synonyms
    4H-​1-​Benzopyran-​4-​one,5,​6,​7,​8-​tetrahydro-​5,​6,​7,​8-​tetrahydroxy-​2-​(2-​phenylethyl)​-​,(5S,​6R,​7R,​8S)​-
  11. Agerafenib (RXDX-105), Tyrosine-protein kinase receptor RET inhibitor
    CAS: 1188910-76-0 Formula: C24H22F3N5O5 Molecular Weight: 517.46
    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 #: A407908
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    Synonyms
    CEP-32496 | Urea, N-[3-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]-N-[5-(2,2,2-trifluoro-1,1-dimethylethyl)-3-isoxazol...
  12. Agomelatine (S20098), Serotonin 2c (5-HT2c) receptor antagonist
    CAS: 138112-76-2 EC Number: 629-727-7 Formula: C15H17NO2 Molecular Weight: 243.3
    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 #: A408761
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    Technical Identifiers
    Synonyms
    N-(2-(7-methoxynaphthalen-1-yl)ethyl)acetamide
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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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