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. Fipexide hydrochloride
    CAS: 34161-23-4 PubChem CID: 161803 Formula: C20H21ClN2O4•(HCl) Molecular Weight: 425.31
    ● In Stock — US warehouse, ships to EU* Item #: F337814
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    Technical Identifiers
    IUPAC Name
    1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
    SMILES
    C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl.Cl
    InChIKey
    MVOWQBJZZKOQNU-UHFFFAOYSA-N
    InChI
    1S/C20H21ClN2O4.ClH/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18;/h1-6,11H,7-10,12-14H2;1H
    Synonyms
    SR-01000806671-4 | Fipexide hydrochloride, analytical standard | SC 998 | Fipexide hydrochloride | UNII-NQ702L425I | ...
  2. Fingolimod, Activator of K ir3.4;Agonist of S1P 1 receptor;Agonist of S1P 5 receptor;Channel blocker of TRPM7
    CAS: 162359-55-9 EC Number: 988-320-5 Formula: C19H33NO2 Molecular Weight: 307.47
    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 #: F421974
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    IUPAC Name
    2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
    SMILES
    CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
    InChIKey
    KKGQTZUTZRNORY-UHFFFAOYSA-N
    InChI
    1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
    Synonyms
    BRD-K88025533-003-01-7 | GTPL2407 | C19H33NO2 | FINGOLIMOD [VANDF] | FINGOLIMOD (MART.) | STL445699 | BCP05969 | D100...
  3. Fipexide hydrochloride
    CAS: 34161-24-5 Formula: C20H21ClN2O4 Molecular Weight: 388.84
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: F423486
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    IUPAC Name
    1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
    SMILES
    C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl
    InChIKey
    BFUJHVVEMMWLHC-UHFFFAOYSA-N
    InChI
    1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2
    Synonyms
    1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-chlorophenoxy)ethanone | FIPEXIDE [MI] | FIPEXIDE [WHO-DD] | KB...
  4. Flavanomarein
    CAS: 577-38-8 PubChem CID: 101781 Formula: C21H22O11 Molecular Weight: 450.39
    ● In Stock — US warehouse, ships to EU* Item #: F357142
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    IUPAC Name
    (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    SMILES
    C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
    InChIKey
    DGGOLFCPSUVVHX-RTHJTPBESA-N
    InChI
    1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2/t14show more
    Synonyms
    (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydr...
  5. Flavanone, Antagonist of A 1 receptor;Antagonist of A 3 receptor
    CAS: 487-26-3 EC Number: 207-654-8 Formula: C15H12O2 Molecular Weight: 224.26
    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 #: F424225
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    IUPAC Name
    2-phenyl-2,3-dihydrochromen-4-one
    SMILES
    C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
    InChIKey
    ZONYXWQDUYMKFB-UHFFFAOYSA-N
    InChI
    1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
    Synonyms
    EINECS 207-654-8 | Flavanone-d5 | KBio2_003069 | KBioSS_000501 | FLAVANONE | DL-FLAVANONE | F4C11F5A-DFFA-4E0E-BCC9-2...
  6. Flavopiridol (L86-8275), Cyclin-dependent kinase 7 inhibitor
    CAS: 146426-40-6 Formula: C21H20ClNO5 Molecular Weight: 401.85
    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 #: F407926
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    Synonyms
    NSC 649890 HCl, HMR-1275, Alvocidib | 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4...
  7. Flavopiridol (L86-8275) HCl
    CAS: 131740-09-5 EC Number: 634-346-4 Formula: C21H20ClNO5.HCl Molecular Weight: 438.3
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: F407830
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    Synonyms
    NSC 649890, Alvocidib, HMR-1275, DSP-2033 | 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4...
  8. Fluensulfone
    CAS: 318290-98-1 EC Number: 849-171-0 Formula: C7H5ClF3NO2S2 Molecular Weight: 291.70
    ◐ .Made to order · 8–12 wks Item #: F412247
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    IUPAC Name
    5-chloro-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole
    SMILES
    C1=C(SC(=N1)S(=O)(=O)CCC(=C(F)F)F)Cl
    InChIKey
    XSNMWAPKHUGZGQ-UHFFFAOYSA-N
    InChI
    1S/C7H5ClF3NO2S2/c8-5-3-12-7(15-5)16(13,14)2-1-4(9)6(10)11/h3H,1-2H2
    Synonyms
    Thiazole, 5-chloro-2-[(3,4,4-trifluoro-3-buten-1-yl)sulfonyl]- | Thiazole, 5-chloro-2-[(3,4,4-trifluoro-3-butenyl)sul...
  9. Flavokawain B
    CAS: 1775-97-9 Formula: C17H16O4 Molecular Weight: 284.31
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: F422162
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    IUPAC Name
    (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
    SMILES
    COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2)O
    InChIKey
    QKQLSQLKXBHUSO-CMDGGOBGSA-N
    InChI
    1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+
    Synonyms
    (2E)-1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-3-PHENYL-2-PROPEN-1-ONE | CHEBI:81599 | SMR000528248 | AC-34272 | CHEBI:92523 ...
  10. 5-Fluoro-2′-deoxyuridine(FUDR), Thymidylate synthase inhibitor
    CAS: 50-91-9 EC Number: 200-072-5 Formula: C9H11FN2O5 Molecular Weight: 246.19
    Liquid 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 #: F408736
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    Synonyms
    Deoxyfluorouridine, FUDR | 5-fluoro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,...
  11. Fludarabine (NSC 118218), Inhibitor of ribonucleotide reductase catalytic subunit M1;Inhibitor of ribonucleotide reductase regulatory subunit M2
    CAS: 21679-14-1 EC Number: 244-525-5 Formula: C10H12FN5O4 Molecular Weight: 285.23
    Liquid 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 #: F408139
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    Synonyms
    FaraA, Fludarabinum | (2R,3S,4S,5R)-2-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
  12. Fisogatinib (BLU-554), Inhibitor of fibroblast growth factor receptor 4
    CAS: 1707289-21-1 Formula: C24H24Cl2N4O4 Molecular Weight: 503.38
    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 #: F422106
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    IUPAC Name
    N-[(3S,4S)-3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxan-4-yl]prop-2-enamide
    SMILES
    COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3C=C2)NC4COCCC4NC(=O)C=C)Cl)OC
    InChIKey
    MGZKYOAQVGSSGC-DLBZAZTESA-N
    InChI
    1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2show more
    Synonyms
    AC-29871 | AS-55934 | BB160379 | BDBM50575072 | BLU554 | BLU-554 | 4-Hydroxy-8-methoxyquinoline-3-carboxylic acid eth...
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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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