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. Bimiralisib (PQR309), Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Inhibitor of phosphatidylinositol-4;
    CAS: 1225037-39-7 Formula: C17H20F3N7O2 Molecular Weight: 411.38
    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 #: B420965
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    Technical Identifiers
    IUPAC Name
    5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
    SMILES
    C1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4
    InChIKey
    ADGGYDAFIHSYFI-UHFFFAOYSA-N
    InChI
    1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
    Synonyms
    AS-49856 | GTPL8383 | UNII-6Z3QHB00LB | PQR309; Bimiralisib free base | s8738 | BCP15887 | PQR 309 | Q27088437 | 5-(4...
  2. Bindarit (AF 2838), Inhibitor of fatty acid binding protein 4
    CAS: 130641-38-2 Formula: C19H20N2O3 Molecular Weight: 324.37
    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 #: B408217
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    Synonyms
    2-((1-benzyl-1H-indazol-3-yl)methoxy)-2-methylpropanoic acid
  3. Bis(2,4,5-trichloro-6-i-pentoxycarbonylphenyl) oxalate(CIPO)
    CAS: 71527-73-6 Formula: C26H24Cl6O8 Molecular Weight: 677.18
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: B304467
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    IUPAC Name
    bis[3,4,6-trichloro-2-(3-methylbutoxycarbonyl)phenyl] oxalate
    SMILES
    CC(C)CCOC(=O)C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)C(=O)OC2=C(C(=C(C=C2Cl)Cl)Cl)C(=O)OCCC(C)C
    InChIKey
    IXPBBMANVMGMBD-UHFFFAOYSA-N
    InChI
    1S/C26H24Cl6O8/c1-11(2)5-7-37-23(33)17-19(31)13(27)9-15(29)21(17)39-25(35)26(36)40-22-16(30)10-14(28)20(32)18(22)24(34)38-8-6-12(3)4/h9-12H,5-8H2,1-4Hshow more
    Synonyms
    Bis(3,4,6-trichloro-2-((isopentyloxy)carbonyl)phenyl) oxalate
  4. Bisacodyl
    CAS: 603-50-9 EC Number: 210-044-4 Formula: C22H19NO4 Molecular Weight: 361.39
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B409130
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    Synonyms
    Phenol, 4,4'-(2-pyridinylmethylene)bis-, 1,1'-diacetate
  5. Bis-PEG1-NHS ester
    CAS: 65869-64-9 Formula: C14H16N2O9 Molecular Weight: 356.28
    ● In Stock — US warehouse, ships to EU* Item #: B412472
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    IUPAC Name
    (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoate
    SMILES
    C1CC(=O)N(C1=O)OC(=O)CCOCCC(=O)ON2C(=O)CCC2=O
    InChIKey
    OWCYSDGIJAVHFQ-UHFFFAOYSA-N
    InChI
    1S/C14H16N2O9/c17-9-1-2-10(18)15(9)24-13(21)5-7-23-8-6-14(22)25-16-11(19)3-4-12(16)20/h1-8H2
    Synonyms
    2,5-Pyrrolidinedione, 1,1'-[oxybis[(1-oxo-3,1-propanediyl)oxy]]bis- | NHS-PEG1-NHS | AKOS027257162 | MFCD20226397 | P...
  6. Bis-PEG3-acid
    CAS: 96517-92-9 Formula: C10H18O7 Molecular Weight: 250.25
    Liquid ≥97%
    ◐ .Made to order · 8–12 wks Item #: B412699
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    Technical Identifiers
    IUPAC Name
    3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
    SMILES
    C(COCCOCCOCCC(=O)O)C(=O)O
    InChIKey
    WFLUHYUKINZPNZ-UHFFFAOYSA-N
    InChI
    1S/C10H18O7/c11-9(12)1-3-15-5-7-17-8-6-16-4-2-10(13)14/h1-8H2,(H,11,12)(H,13,14)
    Synonyms
    3,3'-((Oxybis(ethane-2,1-diyl))bis(oxy))dipropanoic acid | 4,7,10-Trioxatridecanedioic acid
  7. Bis-PEG8-acid
    CAS: 1246189-43-4 Formula: C20H38O12 Molecular Weight: 470.51
    ● In Stock — US warehouse, ships to EU* Item #: B412492
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    IUPAC Name
    3-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
    SMILES
    C(COCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)C(=O)O
    InChIKey
    IRTAMFHIULAGCS-UHFFFAOYSA-N
    InChI
    1S/C20H38O12/c21-19(22)1-3-25-5-7-27-9-11-29-13-15-31-17-18-32-16-14-30-12-10-28-8-6-26-4-2-20(23)24/h1-18H2,(H,21,22)(H,23,24)
    Synonyms
    COOH-PEG7-COOH
  8. Birinapant, cIAP1/cIAP2 inhibitor
    CAS: 1260251-31-7 Formula: C42H56F2N8O6 Molecular Weight: 806.94
    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 #: B421093
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    IUPAC Name
    (2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methylshow more
    SMILES
    CCC(C(=O)N1CC(CC1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)CC6CC(CN6C(=O)C(CC)NC(=O)C(C)NC)O)O)NC(=O)C(C)NC
    InChIKey
    PKWRMUKBEYJEIX-DXXQBUJASA-N
    InChI
    1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-show more
    Synonyms
    2,2-dimethyl-3-hydroxypropyl 2,2-dimethyl-3-hydroxypropionate | NSC767128 | NSC-767128 | D10417 | HY-16591 | (2S)-N-[...
  9. Bis(maltolato)oxovanadium(IV)
    CAS: 38213-69-3 Formula: C12H10O7V Molecular Weight: 317.15
    ● In Stock — US warehouse, ships to EU* Item #: B341886
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    IUPAC Name
    2-methyl-4-oxopyran-3-olate;oxovanadium(2+)
    SMILES
    CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].O=[V+2]
    InChIKey
    XUOLEICXAPEOSI-UHFFFAOYSA-L
    InChI
    1S/2C6H6O3.O.V/c2*1-4-6(8)5(7)2-3-9-4;;/h2*2-3,8H,1H3;;/q;;;+2/p-2
    Synonyms
    AKOS030240247 | BIS((2-METHYL-4-OXO-PYRAN-3-YL)OXY)-OXO-VANADIUM | SCHEMBL12489157 | Bis maltolato oxovanadium,Bis(ma...
  10. Bis(maltolato)oxovanadium(IV)
    CAS: 38213-69-3 Formula: C12H10O7V Molecular Weight: 317.15
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B423769
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    Technical Identifiers
    IUPAC Name
    2-methyl-4-oxopyran-3-olate;oxovanadium(2+)
    SMILES
    CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].O=[V+2]
    InChIKey
    XUOLEICXAPEOSI-UHFFFAOYSA-L
    InChI
    1S/2C6H6O3.O.V/c2*1-4-6(8)5(7)2-3-9-4;;/h2*2-3,8H,1H3;;/q;;;+2/p-2
    Synonyms
    bis(maltolato)oxovanadium(IV)|38213-69-3|HA933D78YW|2-methyl-4-oxopyran-3-olate;oxovanadium(2+)|Bmov(IV)|Vanadium, bi...
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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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