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).

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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. DMH-1
    CAS: 1206711-16-1 EC Number: 682-930-2 Formula: C24H20N4O Molecular Weight: 380.44
    ● In Stock — US warehouse, ships to EU* Item #: D275100
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    IUPAC Name
    4-[6-(4-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
    SMILES
    CC(C)OC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2
    InChIKey
    JMIFGARJSWXZSH-UHFFFAOYSA-N
    InChI
    1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
    Synonyms
    NCGC00371039-08 | 4-(6-{4-[(propan-2-yl)oxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)quinoline | AKOS024457987 | 4-[6-(4-...
  2. Estrone
    CAS: 53-16-7 EC Number: 200-164-5 Formula: C18H22O2 Molecular Weight: 270.37
    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 #: E105515
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    IUPAC Name
    (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
    SMILES
    CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
    InChIKey
    DNXHEGUUPJUMQT-CBZIJGRNSA-N
    InChI
    1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
    Synonyms
    2DI9HA706A | Cristallovar | delta-1,3,5-estratrien-3-beta-ol-17-one | delta-1,3,5-Estratrien-3beta-ol-17-one | ESTRON...
  3. Squalene 2,3:22,23-Dioxide
    CAS: 31063-19-1 PubChem CID: 6440985 Formula: C30H50O2 Molecular Weight: 442.72
    Liquid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: S334425
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    IUPAC Name
    3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
    SMILES
    CC(=CCCC=C(C)CCC=C(C)CCC1C(O1)(C)C)CCC=C(C)CCC2C(O2)(C)C
    InChIKey
    KABSNIWLJXCBGG-TXLDAEQNSA-N
    InChI
    1S/C30H50O2/c1-23(15-11-17-25(3)19-21-27-29(5,6)31-27)13-9-10-14-24(2)16-12-18-26(4)20-22-28-30(7,8)32-28/h13-14,17-18,27-28H,9-12,15-16,19-22H2,1-8H3show more
    Synonyms
    2,3,22,23-Dioxidosqualene | BDBM50280128 | 3-[18-(3,3-dimethyl-2-oxiranyl)-3,7,12,16-tetramethyl-(3E,7E,11E,15E)-3,7,...
  4. Ferrous Bisglycinate
    CAS: 20150-34-9 EC Number: 606-444-7 PubChem CID: 9837124 Formula: C4H8FeN2O4 Molecular Weight: 203.96
    Solid Iron content: 20%
    ● In Stock — Germany Item #: F302712
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    IUPAC Name
    2-aminoacetate;iron(2+)
    SMILES
    C(C(=O)[O-])N.C(C(=O)[O-])N.[Fe+2]
    InChIKey
    GIPOFCXYHMWROH-UHFFFAOYSA-L
    InChI
    1S/2C2H5NO2.Fe/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2
    Synonyms
    Iron glycinate | BIS(GLYCINATO-.KAPPA.N,.KAPPA.O)IRON | Bisglycine iron(II) salt | lambda2-iron(2+) ion bis(2-aminoac...
  5. D-(+)-Galactosamine hydrochloride
    CAS: 1772-03-8 Formula: C6H13NO5 · HCl Molecular Weight: 215.63
    for Cell culture ? Cell-culture grade — low endotoxin and contaminants to support viable cell growth. Use in mammalian/other cell culture media and supplements. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: G115554
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    Synonyms
    1886979-58-3 | (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol hydrochloride | NCGC00255106-01...
  6. Quinine sulfate dihydrate, Ferriprotoporphyrin IX inhibitor
    CAS: 6119-70-6 EC Number: 639-128-2 PubChem CID: 16211610 Formula: C40H48N4O4.H2SO4.2H2O Molecular Weight: 782.95
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: Q110175
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    IUPAC Name
    (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate
    SMILES
    COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O
    InChIKey
    ZHNFLHYOFXQIOW-LPYZJUEESA-N
    InChI
    1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-show more
    Synonyms
    CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, SULFATE, HYDRATE (2:1:2) | QUININE SULFATE HYDRATE [JAN] | 1-propyl-3-(3...
  7. Ethacridine lactate monohydrate
    CAS: 6402-23-9 EC Number: 217-408-1 Formula: C15H15N3O·C3H6O3·H2O Molecular Weight: 361.39
    ● In Stock — US warehouse, ships to EU* Item #: D129570
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    IUPAC Name
    7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid;hydrate
    SMILES
    CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O.O
    InChIKey
    NYEPHMYJRNWPLA-UHFFFAOYSA-N
    InChI
    1S/C15H15N3O.C3H6O3.H2O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6;/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6);1H2
    Synonyms
    Acrinol Monohydrate | 6,9-Diamino-2-ethoxyacridine lactate monohydrate
  8. IC87201
    CAS: 866927-10-8 EC Number: 110-960-3 Formula: C13H10Cl2N4O Molecular Weight: 309.15
    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%
    ◐ .Made to order · 8–12 wks Item #: I286663
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    IUPAC Name
    2-[(2H-benzotriazol-5-ylamino)methyl]-4,6-dichlorophenol
    SMILES
    C1=CC2=NNN=C2C=C1NCC3=C(C(=CC(=C3)Cl)Cl)O
    InChIKey
    QEHVTUCLCBXQIC-UHFFFAOYSA-N
    InChI
    1S/C13H10Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-5,16,20H,6H2,(H,17,18,19)
    Synonyms
    2-[(1H-Benzotriazol-6-ylamino)methyl]-4,6-dichlorophenol | 2-(1H-Benzotriazol-6-ylamino)methyl-4,6-dichlorophenol,Phe...
  9. Z-Ala-Trp-OH
    CAS: 119645-65-7 PubChem CID: 6992431 Formula: C22H23N3O5 Molecular Weight: 409.44
    ● In Stock — US warehouse, ships to EU* Item #: Z346045
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    IUPAC Name
    (2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
    SMILES
    CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)OCC3=CC=CC=C3
    InChIKey
    OEANOUHCLXZBNG-LIRRHRJNSA-N
    InChI
    1S/C22H23N3O5/c1-14(24-22(29)30-13-15-7-3-2-4-8-15)20(26)25-19(21(27)28)11-16-12-23-18-10-6-5-9-17(16)18/h2-10,12,14,19,23H,11,13H2,1H3,(H,24,29)(H,25show more
    Synonyms
    AS-19611 | AKOS024432241 | SMR000841576 | (S)-2-((S)-2-(benzyloxycarbonylamino)propanamido)-3-(1H-indol-3-yl)propanoi...
  10. Stigmasterol
    CAS: 83-48-7 EC Number: 201-482-7 PubChem CID: 5280794 Formula: C29H48O Molecular Weight: 412.69
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥90%
    ● In Stock — US warehouse, ships to EU* Item #: S111185
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    IUPAC Name
    (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenshow more
    SMILES
    CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
    InChIKey
    HCXVJBMSMIARIN-PHZDYDNGSA-N
    InChI
    1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/tshow more
    Synonyms
    3.BETA.-HYDROXY-24-ETHYL-.DELTA.(SUP 5,22)-CHOLESTADIENE | 5,22-Cholestadien-24-ethyl-3beta-ol | AS-15473 | (3S,8S,9S...
  11. Stoddard solvent
    CAS: 8052-41-3 EC Number: 232-489-3 PubChem CID: 53445481 Formula: C8H15BrO2 Molecular Weight: 223
    None
    ● In Stock — Germany Item #: S304692
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    IUPAC Name
    acetic acid;6-bromohexan-1-ol
    SMILES
    CC(=O)O.C(CCCBr)CCO
    InChIKey
    ORSNIUUONGZHEH-UHFFFAOYSA-N
    InChI
    1S/C6H13BrO.C2H4O2/c7-5-3-1-2-4-6-8;1-2(3)4/h8H,1-6H2;1H3,(H,3,4)
    Synonyms
    1-Hexanol, 6-bromo-, acetate|8052-41-3|6-BROMO-1-HEXANOL ACETATE|Named reagents andsolutions, Stoddard|AKOS028110073|...
  12. Ac-Phe-Tyr-OH
    CAS: 2365-53-9 Formula: C20H22N2O5 Molecular Weight: 370.4
    ● In Stock — US warehouse, ships to EU* Item #: A354597
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    IUPAC Name
    (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
    SMILES
    CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O
    InChIKey
    AGHAPAFOMGHXMT-ROUUACIJSA-N
    InChI
    1S/C20H22N2O5/c1-13(23)21-17(11-14-5-3-2-4-6-14)19(25)22-18(20(26)27)12-15-7-9-16(24)10-8-15/h2-10,17-18,24H,11-12H2,1H3,(H,21,23)(H,22,25)(H,26,27)/tshow more
    Synonyms
    DTXSID10425861 | N-Acetyl-L-Phe-Tyr | N-acetyl-l-phenylalanyl-l-tyrosine | BDBM36213 | Acetyl-L-phenylalanyl-L-tyrosi...
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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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