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. DL-Sulforaphane
    CAS: 4478-93-7 EC Number: 878-934-0 Formula: C6H11NOS2 Molecular Weight: 177.29
    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 #: D424040
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    Technical Identifiers
    IUPAC Name
    1-isothiocyanato-4-methylsulfinylbutane
    SMILES
    CS(=O)CCCCN=C=S
    InChIKey
    SUVMJBTUFCVSAD-UHFFFAOYSA-N
    InChI
    1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
    Synonyms
    sulforaphane|4478-93-7|DL-Sulforaphane|1-Isothiocyanato-4-(methylsulfinyl)butane|Sulforafan|D,L-Sulforaphane|1-Isothi...
  2. DMeOB
    CAS: 40252-74-2 EC Number: 637-036-7 Formula: C16H16N2O2 Molecular Weight: 268.31
    ● In Stock — US warehouse, ships to EU* Item #: D335880
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    IUPAC Name
    (E)-1-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]methanimine
    SMILES
    COC1=CC=CC(=C1)C=NN=CC2=CC(=CC=C2)OC
    InChIKey
    FBNPHFBYHYNMHC-JYFOCSDGSA-N
    InChI
    1S/C16H16N2O2/c1-19-15-7-3-5-13(9-15)11-17-18-12-14-6-4-8-16(10-14)20-2/h3-12H,1-2H3/b17-11+,18-12+
    Synonyms
    m-Anisaldehyde, azine | (1E,2E)-bis(3-methoxybenzylidene)hydrazine | AKOS000497421 | Benzaldehyde, 3-methoxy-, [(3-me...
  3. DL-Theanine
    CAS: 34271-54-0 Formula: C7H14N2O3 Molecular Weight: 174.20
    ● In Stock — US warehouse, ships to EU* Item #: D349984
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    IUPAC Name
    2-amino-5-(ethylamino)-5-oxopentanoic acid
    SMILES
    CCNC(=O)CCC(C(=O)O)N
    InChIKey
    DATAGRPVKZEWHA-UHFFFAOYSA-N
    InChI
    1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
    Synonyms
    A822145 | FT-0656318 | MFCD00059653 | NSC21308 | LS-13325 | FT-0628022 | AKOS006230087 | AC-23977 | DL-Theanine (H-DL...
  4. DM 235
    CAS: 314728-85-3 Formula: C14H18N2O2 Molecular Weight: 246.31
    ● In Stock — US warehouse, ships to EU* Item #: D349121
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    IUPAC Name
    1-(4-benzoylpiperazin-1-yl)propan-1-one
    SMILES
    CCC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2
    InChIKey
    DGOWDUFJCINDGI-UHFFFAOYSA-N
    InChI
    1S/C14H18N2O2/c1-2-13(17)15-8-10-16(11-9-15)14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
    Synonyms
    DM-235 | NCGC00015350-02 | 1-(4-benzoylpiperazin-1-yl)propan-1-one | DM235 | DM-235 | HMS3261C21 | SUNIFIRAM | 1-Prop...
  5. DL-myo-Inositol 1,4,5-Trisphosphate Hexaammonium Salt
    CAS: 112571-68-3 PubChem CID: 71749502 Formula: C6H33N6O15P3 Molecular Weight: 522.28
    ◐ .Made to order · 8–12 wks Item #: D350838
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    IUPAC Name
    hexaazanium;[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonatooxycyclohexyl] phosphate
    SMILES
    C1(C(C(C(C(C1OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
    InChIKey
    LIYOERFOZGUFMQ-PPKFVSOLSA-N
    InChI
    1S/C6H15O15P3.6H3N/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12;;;;;;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);6*1H3/t1-,2+,show more
    Synonyms
    Hexakisammonium (1R,2R,3S,4R,5R,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris(phosphate) | DL-myo-Inositol 1,4,5-T...
  6. DL5H3
    CAS: 90263-34-6 PubChem CID: 13282351 Formula: C26H28N4O2 Molecular Weight: 428.5
    ● In Stock — US warehouse, ships to EU* Item #: D413121
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    Technical Identifiers
    IUPAC Name
    N-[(3E)-3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-3-piperidin-1-ylpropanamide
    SMILES
    C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N4CCC(=CC5=CC=CC=C5)C4=N3
    InChIKey
    IKZNFIXEWJBYCF-LVZFUZTISA-N
    InChI
    1S/C26H28N4O2/c31-24(12-15-29-13-5-2-6-14-29)27-21-9-10-22-23(18-21)28-25-20(11-16-30(25)26(22)32)17-19-7-3-1-4-8-19/h1,3-4,7-10,17-18H,2,5-6,11-16H2,show more
  7. DL-β-Leucine
    CAS: 5699-54-7 Formula: C6H13NO2 Molecular Weight: 131.17
    10mM in Water
    ● In Stock — US warehouse, ships to EU* Item #: D424812
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    Technical Identifiers
    IUPAC Name
    3-amino-4-methylpentanoic acid
    SMILES
    CC(C)C(CC(=O)O)N
    InChIKey
    GLUJNGJDHCTUJY-UHFFFAOYSA-N
    InChI
    1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
    Synonyms
    F0913-5477 | RP-13057 | C-1739 | racemic 3-amino-4-methylpentanoic acid | W-107516 | AS-59830 | SY064256 | W-107314 |...
  8. DLin-KC2-DMA
    CAS: 1190197-97-7 Formula: C43H79NO2 Molecular Weight: 642.09
    Liquid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: D412292
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    Technical Identifiers
    IUPAC Name
    2-[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
    SMILES
    CCCCCC=CCC=CCCCCCCCCC1(OCC(O1)CCN(C)C)CCCCCCCCC=CCC=CCCCCC
    InChIKey
    LRFJOIPOPUJUMI-KWXKLSQISA-N
    InChI
    1S/C43H79NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-43(45-41-42(46-43)37-40-44(3)4)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-show more
    Synonyms
    1,​3-​Dioxolane-​4-​ethanamine,N,​N-​dimethyl-​2,​2-​di-​(9Z,​12Z)​-​9,​12-​octadecadien-​1-​yl-
  9. DLinDMA
    CAS: 871258-12-7 Formula: C41H77NO2 Molecular Weight: 616.16
    ● In Stock — US warehouse, ships to EU* Item #: D413024
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    Technical Identifiers
    IUPAC Name
    N,N-dimethyl-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propan-1-amine
    SMILES
    CCCCCC=CCC=CCCCCCCCCOCC(CN(C)C)OCCCCCCCCC=CCC=CCCCCC
    InChIKey
    NFQBIAXADRDUGK-KWXKLSQISA-N
    InChI
    1S/C41H77NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-40-41(39-42(3)4)44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,show more
    Synonyms
    1-Propanamine, N,N-dimethyl-2,3-bis((9Z,12Z)-9,12-octadecadien-1-yloxy)- | NFQBIAXADRDUGK-KWXKLSQISA-N | 1,2-dilinole...
  10. DMOG
    CAS: 89464-63-1 Formula: C6H9NO5 Molecular Weight: 175.14
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D408454
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    Synonyms
    Dimethyloxalylglycine | N-(2-Methoxy-2-oxoacetyl)glycine methyl ester
  11. DREADD Agonist 21
    CAS: 56296-18-5 Formula: C17H18N4 Molecular Weight: 278.35
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D424767
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    Technical Identifiers
    IUPAC Name
    6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
    SMILES
    C1CN(CCN1)C2=NC3=CC=CC=C3NC4=CC=CC=C42
    InChIKey
    JCBYXNSOLUVGTF-UHFFFAOYSA-N
    InChI
    1S/C17H18N4/c1-2-6-14-13(5-1)17(21-11-9-18-10-12-21)20-16-8-4-3-7-15(16)19-14/h1-8,18-19H,9-12H2
    Synonyms
    11-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | 11-Piperazinyldibenzo[b,e][1,4]diazepine dihydrochloride | Compou...
  12. DNP-DL-methionine sulfone
    CAS: 16068-18-1 Formula: C11H13N3O8S Molecular Weight: 347.3
    ● In Stock — US warehouse, ships to EU* Item #: D351851
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    Technical Identifiers
    IUPAC Name
    2-(2,4-dinitroanilino)-4-methylsulfonylbutanoic acid
    SMILES
    CS(=O)(=O)CCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
    InChIKey
    KFPFJKADCNQPPQ-UHFFFAOYSA-N
    InChI
    1S/C11H13N3O8S/c1-23(21,22)5-4-9(11(15)16)12-8-3-2-7(13(17)18)6-10(8)14(19)20/h2-3,6,9,12H,4-5H2,1H3,(H,15,16)
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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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