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

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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. Harmaline
    CAS: 304-21-2 EC Number: 206-152-6 Formula: C13H14N2O Molecular Weight: 214.27
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: H423148
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    Technical Identifiers
    IUPAC Name
    7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
    SMILES
    CC1=NCCC2=C1NC3=C2C=CC(=C3)OC
    InChIKey
    RERZNCLIYCABFS-UHFFFAOYSA-N
    InChI
    1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
    Synonyms
    3,4-Dihydro-7-methoxy-1-methyl-9-pyrido(3,4-b)indole | ACon1_000019 | DB13875 | KBio1_000950 | KBio2_000781 | LS-1420...
  2. Hafnium telluride
    CAS: 39082-23-0 EC Number: 254-280-6 PubChem CID: 90471877 Formula: HfTe2 Molecular Weight: 433.69
    ● In Stock — US warehouse, ships to EU* Item #: H353160
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    IUPAC Name
    bis(tellanylidene)hafnium
    SMILES
    [Te]=[Hf]=[Te]
    InChIKey
    BCMXGUYIVFZMCT-UHFFFAOYSA-N
    InChI
    1S/Hf.2Te
    Synonyms
    bis(tellanylidene)hafnium | MFCD00049947 | Hafnium telluride | Hafnium ditelluride
  3. Hematoporphyrin monomethyl Ether
    CAS: 148471-91-4 PubChem CID: 11570804 Formula: C35H40N4O6 Molecular Weight: 612.72
    ● In Stock — US warehouse, ships to EU* Item #: H302937
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    IUPAC Name
    3-[18-(2-carboxyethyl)-8-(1-hydroxyethyl)-13-(1-methoxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
    SMILES
    CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)OC
    InChIKey
    NDYWLKUTUDKOAS-UHFFFAOYSA-N
    InChI
    1S/C35H40N4O6/c1-16-22(8-10-32(41)42)28-15-29-23(9-11-33(43)44)17(2)25(37-29)13-31-35(21(6)45-7)19(4)27(39-31)14-30-34(20(5)40)18(3)26(38-30)12-24(16)show more
    Synonyms
    HMME
  4. Heptamidine dimethanesulfonate
    CAS: 161374-55-6 PubChem CID: 146047121 Formula: C23H36N4O8S2 Molecular Weight: 560.7
    ● In Stock — US warehouse, ships to EU* Item #: H412913
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    IUPAC Name
    4-[7-(4-carbamimidoylphenoxy)heptoxy]benzenecarboximidamide;methanesulfonic acid
    SMILES
    CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=N)N)OCCCCCCCOC2=CC=C(C=C2)C(=N)N
    InChIKey
    VJPVVWMWVOBCIC-UHFFFAOYSA-N
    InChI
    1S/C21H28N4O2.2CH4O3S/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25;2*1-5(2,3)4/h6-13H,1-5,14-15H2,(H3,22,23)(H3,24,2show more
    Synonyms
    SBi4211 dimethanesulfonate
  5. Heptamidine
    CAS: 94345-47-8 Formula: C21H28N4O2 Molecular Weight: 368.5
    ◐ .Made to order · 8–12 wks Item #: H412915
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    IUPAC Name
    4-[7-(4-carbamimidoylphenoxy)heptoxy]benzenecarboximidamide
    SMILES
    C1=CC(=CC=C1C(=N)N)OCCCCCCCOC2=CC=C(C=C2)C(=N)N
    InChIKey
    IUJKKCRARYRWFG-UHFFFAOYSA-N
    InChI
    1S/C21H28N4O2/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13H,1-5,14-15H2,(H3,22,23)(H3,24,25)
    Synonyms
    SBi4211
  6. Hemicholinium-3, CHT
    CAS: 312-45-8 EC Number: 206-227-3 Formula: C24H34Br2N2O4 Molecular Weight: 574.35
    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
    ◐ .Made to order · 8–12 wks Item #: H423213
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    IUPAC Name
    2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol;dibromide
    SMILES
    C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-].[Br-]
    InChIKey
    OPYKHUMNFAMIBL-UHFFFAOYSA-L
    InChI
    1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2show more
    Synonyms
    NSC 527583 | Prestwick_566 | SR-01000075620-1 | LP00578 | 2,2'-(1,1'-Biphenyl)-4,4'-diylbis(2-hydroxy-4,4-dimethyl-mo...
  7. Hesperadin, Inhibitor of aurora kinase B
    CAS: 422513-13-1 EC Number: 875-899-3 Formula: C29H32N4O3S Molecular Weight: 516.67
    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 #: H409181
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    Technical Identifiers
    Synonyms
    (Z)-N-(2-oxo-3-(phenyl(4-(piperidin-1-ylmethyl)phenylamino)methylene)indolin-5-yl)ethanesulfonamide
  8. Hesperetin
    CAS: 520-33-2 EC Number: 208-290-2 Formula: C16H14O6 Molecular Weight: 302.29
    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 #: H408754
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    Technical Identifiers
    Synonyms
    2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
  9. Heterophyllin B
    CAS: 145459-19-4 PubChem CID: 102022989 Formula: C40H58N8O8 Molecular Weight: 778.9
    ● In Stock — US warehouse, ships to EU* Item #: H412658
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    IUPAC Name
    (3S,9S,15S,24S,27S,30S)-24-benzyl-27-[(2S)-butan-2-yl]-15-(2-methylpropyl)-1,7,13,16,19,22,25,28-octazatetracyclo[28.3.0.03,7.09,13]tritriacontane-2,8show more
    SMILES
    CCC(C)C1C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)N4CCCC4C(=O)N1)CC(C)C)CC5=CC=CC=C5
    InChIKey
    KYAVLJJQNUHRMR-PPLFBOPFSA-N
    InChI
    1S/C40H58N8O8/c1-5-25(4)34-37(53)44-27(21-26-12-7-6-8-13-26)35(51)42-22-32(49)41-23-33(50)43-28(20-24(2)3)38(54)47-18-10-15-30(47)40(56)48-19-11-16-31show more
  10. Hexadecyl trimethyl ammonium bromide(CTAB)
    CAS: 57-09-0 EC Number: 200-311-3 Formula: C19H42BrN Molecular Weight: 364.45
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: H424816
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    Technical Identifiers
    IUPAC Name
    hexadecyl(trimethyl)azanium;bromide
    SMILES
    CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
    InChIKey
    LZZYPRNAOMGNLH-UHFFFAOYSA-M
    InChI
    1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
    Synonyms
    Cetrimonium bromide|57-09-0|Cetyltrimethylammonium bromide|Hexadecyltrimethylammonium bromide|CTAB|Bromat|CETAB|Centi...
  11. Hexadecyltrimethylammonium Bromide-d33
    CAS: 347841-42-3 Formula: C19H9D33BrN Molecular Weight: 397.65
    ● In Stock — US warehouse, ships to EU* Item #: H351984
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    Technical Identifiers
    IUPAC Name
    1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosadeuteriohexadecyl-tris(trideuteriomethyl)azanium;bromide
    SMILES
    CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
    InChIKey
    LZZYPRNAOMGNLH-NKQDAPHUSA-M
    InChI
    1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1/i2D3,3D3,4D3,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,show more
    Synonyms
    Cetrimonium-d33 bromide | CTAB-d33 | Cetyltrimethylammonium-d33 bromide | n-Hexadecyl-d33-trimethylammonium Bromide
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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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