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. Fmoc-L-Aspartimol(OtBu)
    CAS: 133565-45-4 Formula: C23H27NO5 Molecular Weight: 397.48
    ● In Stock — US warehouse, ships to EU* Item #: F339095
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    Technical Identifiers
    IUPAC Name
    tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
    SMILES
    CC(C)(C)OC(=O)CC(CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
    InChIKey
    BSWAVDINBJTJNU-HNNXBMFYSA-N
    InChI
    1S/C23H27NO5/c1-23(2,3)29-21(26)12-15(13-25)24-22(27)28-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,25H,12-14H2,1-3H3,(H,24,27)/t15-/m0/sshow more
    Synonyms
    DTXSID90454477 | (S)-tert-Butyl 3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-hydroxybutanoate | Fmoc-Aspartimol(OB...
  2. Fmoc-L-His(Boc)-OH
    CAS: 81379-52-4 Formula: C26H27N3O6 Molecular Weight: 477.51
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: F339404
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    IUPAC Name
    (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
    SMILES
    CC(C)(C)OC(=O)N1C=C(N=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
    InChIKey
    ZRHPMMZWDWMKPD-QFIPXVFZSA-N
    InChI
    1S/C26H27N3O6/c1-26(2,3)35-25(33)29-13-16(27-15-29)12-22(23(30)31)28-24(32)34-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,13,15,21-22H,12,14H2,show more
    Synonyms
    N-Fmoc-N'-Boc-L-histidine | Nα-[[(9H-Fluoren-9-yl)methoxy]carbonyl]-Nτ-(tert-butoxycarbonyl)-L-histidine | (2S)-2-(9H...
  3. Fmoc-L-His-OAll
    CAS: 220932-33-2 PubChem CID: 15408430 Formula: C24H23N3O4 Molecular Weight: 417.46
    ● In Stock — US warehouse, ships to EU* Item #: F338572
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    IUPAC Name
    prop-2-enyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate
    SMILES
    C=CCOC(=O)C(CC1=CN=CN1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
    InChIKey
    SDJWDDVYGPTKBQ-QFIPXVFZSA-N
    InChI
    1S/C24H23N3O4/c1-2-11-30-23(28)22(12-16-13-25-15-26-16)27-24(29)31-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h2-10,13,15,21-22H,1,11-12,14H2,(H,25,2show more
    Synonyms
    N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-histidine 2-propen-1-yl ester
  4. Fmoc-L-Lys(Boc)-OSu
    CAS: 132307-50-7 Formula: C30H35N3O8 Molecular Weight: 565.61
    ● In Stock — US warehouse, ships to EU* Item #: F339096
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    IUPAC Name
    (2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
    SMILES
    CC(C)(C)OC(=O)NCCCCC(C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
    InChIKey
    HONZVSWDWBWWMH-DEOSSOPVSA-N
    InChI
    1S/C30H35N3O8/c1-30(2,3)40-28(37)31-17-9-8-14-24(27(36)41-33-25(34)15-16-26(33)35)32-29(38)39-18-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-1show more
    Synonyms
    (2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexa...
  5. N-Phenethylbiguanide
    CAS: 114-86-3 Formula: C10H15N5 Molecular Weight: 205.26
    ◐ .Made to order · 8–12 wks Item #: N302245
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    Technical Identifiers
    IUPAC Name
    1-(diaminomethylidene)-2-(2-phenylethyl)guanidine
    SMILES
    C1=CC=C(C=C1)CCN=C(N)N=C(N)N
    InChIKey
    ICFJFFQQTFMIBG-UHFFFAOYSA-N
    InChI
    1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
    Synonyms
    Cronoformin | Prestwick2_000179 | Debinyl | HMS3604G03 | Dibein | Fenfoduron | MFCD00242966 | NCGC00016543-02 | MLS00...
  6. N-Phenethylbiguanide
    CAS: 114-86-3 Formula: C10H15N5 Molecular Weight: 205.26
    ◐ .Made to order · 8–12 wks Item #: D302244
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    Technical Identifiers
    IUPAC Name
    1-(diaminomethylidene)-2-(2-phenylethyl)guanidine
    SMILES
    C1=CC=C(C=C1)CCN=C(N)N=C(N)N
    InChIKey
    ICFJFFQQTFMIBG-UHFFFAOYSA-N
    InChI
    1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
    Synonyms
    Cronoformin | Prestwick2_000179 | Debinyl | HMS3604G03 | Dibein | Fenfoduron | MFCD00242966 | NCGC00016543-02 | MLS00...
  7. N-TETRADECANE-D30
    CAS: 204244-81-5 Formula: C14D30 Molecular Weight: 228.57
    ● In Stock — US warehouse, ships to EU* Item #: N302729
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    Technical Identifiers
    IUPAC Name
    1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-triacontadeuteriotetradecane
    SMILES
    CCCCCCCCCCCCCC
    InChIKey
    BGHCVCJVXZWKCC-XMMAUIQQSA-N
    InChI
    1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2
    Synonyms
    1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Triacontadeuteriotetradecane | HY-W094846S | D...
  8. N-Tert-Butylhydroxylamine
    CAS: 16649-50-6 EC Number: 877-853-8 Formula: C4H11NO Molecular Weight: 89.14
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: N305121
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    Technical Identifiers
    IUPAC Name
    N-tert-butylhydroxylamine
    SMILES
    CC(C)(C)NO
    InChIKey
    XWESXZZECGOXDQ-UHFFFAOYSA-N
    InChI
    1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3
    Synonyms
    NSC 150349 | Phosphinic acid, (4-(dimethylamino)-2-methylphenyl)-, sodium salt | 2-(hydroxyamino)-2-methylpropane | 2...
  9. N-[2’-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester
    CAS: 137863-17-3 EC Number: 619-694-7 Formula: C25H31N5O3 Molecular Weight: 449.56
    Solid ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: N302521
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    IUPAC Name
    methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
    SMILES
    CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)OC
    InChIKey
    UJTNRXYTECQKFO-QHCPKHFHSA-N
    InChI
    1S/C25H31N5O3/c1-5-6-11-22(31)30(23(17(2)3)25(32)33-4)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24-26-28-29-27-24/h7-10,12-15,17,23H,5-6,11,16H2,1-4H3show more
    Synonyms
    UJTNRXYTECQKFO-QHCPKHFHSA-N | (S)-Methyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-meth...
  10. Fmoc-L-Met-OSu
    CAS: 112913-64-1 PubChem CID: 15028272 Formula: C24H24N2O6S Molecular Weight: 468.52
    ● In Stock — US warehouse, ships to EU* Item #: F339145
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    IUPAC Name
    (2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoate
    SMILES
    CSCCC(C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
    InChIKey
    AQHGGWPKXOCXAB-FQEVSTJZSA-N
    InChI
    1S/C24H24N2O6S/c1-33-13-12-20(23(29)32-26-21(27)10-11-22(26)28)25-24(30)31-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19-20H,10-14H2,1H3,(H,25,30show more
    Synonyms
    N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-methionine succinimidyl ester
  11. Fmoc-L-Orn(Fmoc)-OH
    CAS: 201046-59-5 Formula: C35H32N2O6 Molecular Weight: 576.66
    ● In Stock — Germany Item #: F338844
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    Technical Identifiers
    IUPAC Name
    (2S)-2,5-bis(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
    SMILES
    C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
    InChIKey
    HFKOCIWEYMAENQ-YTTGMZPUSA-N
    InChI
    1S/C35H32N2O6/c38-33(39)32(37-35(41)43-21-31-28-16-7-3-12-24(28)25-13-4-8-17-29(25)31)18-9-19-36-34(40)42-20-30-26-14-5-1-10-22(26)23-11-2-6-15-27(23)show more
    Synonyms
    (S)-2,5-Bis((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid | (2S)-2,5-bis(9H-fluoren-9-ylmethoxycarbonylami...
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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.
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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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