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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136,967 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

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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 (where available)—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. Methylsulfuric acid potassium salt
    CAS: 562-54-9 EC Number: 209-231-3 Formula: CH3KO4S Molecular Weight: 150.2
    ● In Stock — US Item #: M304001
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    Technical Identifiers
    IUPAC Name
    potassium;methyl sulfate
    SMILES
    COS(=O)(=O)[O-].[K+]
    InChIKey
    WBGWGHYJIFOATF-UHFFFAOYSA-M
    InChI
    1S/CH4O4S.K/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
    Synonyms
    9B0JF05O1C | Methyl potassium sulfate | POTASSIUM METHYL SULFATE [MI] | Q27272286 | NSC-36454 | Sulfuric acid, monome...
  2. Methylthiouracil
    CAS: 91795-77-6 Formula: C5H6N2OS Molecular Weight: 142
    ● In Stock — US Item #: M304970
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    IUPAC Name
    6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
    SMILES
    CC1=CC(=O)NC(=S)N1
    InChIKey
    HWGBHCRJGXAGEU-UHFFFAOYSA-N
    InChI
    1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
    Synonyms
    methylthiouracil|6-Methyl-2-thiouracil|56-04-2|4-hydroxy-2-mercapto-6-methylpyrimidine|Thimecil|2-Mercapto-6-methylpy...
  3. Boc-L-alpha-aminosuberic acid
    CAS: 66713-87-9 Formula: C13H23NO6 Molecular Weight: 289.33
    ● In Stock — US Item #: B356811
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    IUPAC Name
    (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioic acid
    SMILES
    CC(C)(C)OC(=O)NC(CCCCCC(=O)O)C(=O)O
    InChIKey
    WZVLJRPOVUCTFZ-VIFPVBQESA-N
    InChI
    1S/C13H23NO6/c1-13(2,3)20-12(19)14-9(11(17)18)7-5-4-6-8-10(15)16/h9H,4-8H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)/t9-/m0/s1
    Synonyms
    BOC-ASU-OH | (S)-2-((tert-Butoxycarbonyl)amino)octanedioic acid | (2S)-2-[(tert-butoxycarbonyl)amino]octanedioic acid...
  4. Boc-3,3-diphenyl-D-alanine
    CAS: 117027-46-0 Formula: C20H23NO4 Molecular Weight: 341.41
    ● In Stock — US Item #: B356489
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    IUPAC Name
    (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoic acid
    SMILES
    CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O
    InChIKey
    TYJDOLCFYZSNQC-QGZVFWFLSA-N
    InChI
    1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,21,24)(H,22,23)/t17-/m1/s1
    Synonyms
    AKOS016842461 | Boc-D-Dph-OH | HY-W008432 | N-(tert-Butoxycarbonyl)-beta-phenyl-D-phenylalanine | DS-17441 | J-007737...
  5. N-Ethyl-N-benzylaniline-3'-sulfonic acid
    CAS: 101-11-1 EC Number: 202-916-8 Formula: C15H17NO3S Molecular Weight: 291.37
    ◐ .Made to order · 8–12 wks Item #: N302066
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    IUPAC Name
    3-[(N-ethylanilino)methyl]benzenesulfonic acid
    SMILES
    CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=CC=C2
    InChIKey
    BQGRVFPPZJPWPB-UHFFFAOYSA-N
    InChI
    1S/C15H17NO3S/c1-2-16(14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)
    Synonyms
    101-11-1|N-ethyl-N-benzylaniline-3'-sulfonic acid|3-((Ethyl(phenyl)amino)methyl)benzenesulfonic acid|3-((Ethylphenyla...
  6. Boc-Ile-Gly-OH
    CAS: 16257-05-9 Formula: C13H24N2O5 Molecular Weight: 288.34
    ● In Stock — US Item #: B357013
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    IUPAC Name
    2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid
    SMILES
    CCC(C)C(C(=O)NCC(=O)O)NC(=O)OC(C)(C)C
    InChIKey
    OWJXXJTWCMKBCI-WPRPVWTQSA-N
    InChI
    1S/C13H24N2O5/c1-6-8(2)10(11(18)14-7-9(16)17)15-12(19)20-13(3,4)5/h8,10H,6-7H2,1-5H3,(H,14,18)(H,15,19)(H,16,17)/t8-,10-/m0/s1
    Synonyms
    N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucylglycine
  7. Boc-L-2,4-dimethylphenylalanine
    CAS: 849440-31-9 Formula: C16H23NO4 Molecular Weight: 293.36
    ● In Stock — US Item #: B355621
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    IUPAC Name
    (2S)-3-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
    SMILES
    CC1=CC(=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)C
    InChIKey
    AVJPLTQARRYWFZ-ZDUSSCGKSA-N
    InChI
    1S/C16H23NO4/c1-10-6-7-12(11(2)8-10)9-13(14(18)19)17-15(20)21-16(3,4)5/h6-8,13H,9H2,1-5H3,(H,17,20)(H,18,19)/t13-/m0/s1
    Synonyms
    AKOS015949802 | Boc-L-2,4-dimethylphe | MFCD06659126 | (2S)-3-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbony...
  8. Boc-D-glutamic acid gamma-9-fluorenylmethyl ester
    CAS: 123417-20-9 PubChem CID: 7015796 Formula: C24H27NO6 Molecular Weight: 425.47
    Solid ≥98%
    ● In Stock — US Item #: B356480
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    IUPAC Name
    (2R)-5-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
    SMILES
    CC(C)(C)OC(=O)NC(CCC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
    InChIKey
    RCQRXYWDDVULAP-HXUWFJFHSA-N
    InChI
    1S/C24H27NO6/c1-24(2,3)31-23(29)25-20(22(27)28)12-13-21(26)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,27,2show more
  9. Dolasetron Mesylate Monohydrate
    CAS: 878143-33-0 EC Number: 835-539-8 Formula: C19H20N2O3•CH4O3S•H2O Molecular Weight: 438.5
    ● In Stock — US Item #: D302253
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    IUPAC Name
    methanesulfonic acid;[(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate;hydrate
    SMILES
    CS(=O)(=O)O.C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54.O
    InChIKey
    QTFFGPOXNNGTGZ-RCSCTSIBSA-N
    InChI
    1S/C19H20N2O3.CH4O3S.H2O/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17;1-5(2,3)4;/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,show more
    Synonyms
    BAA87881 | Dalasetron (Mesylate hydrate) | rel-(5s,6R,8r,9aS)-3-Oxooctahydro-1H-2,6-methanoquinolizin-8-yl 1H-indole-...
  10. Mesoridazine besylate, Serotonin 2a (5-HT2a) receptor antagonist
    CAS: 32672-69-8 EC Number: 636-506-9 Formula: C21H26N2OS2・C6H6O3S Molecular Weight: 544.75
    ● In Stock — US Item #: M333070
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    IUPAC Name
    benzenesulfonic acid;10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
    SMILES
    CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C.C1=CC=C(C=C1)S(=O)(=O)O
    InChIKey
    CRJHBCPQHRVYBS-UHFFFAOYSA-N
    InChI
    1S/C21H26N2OS2.C6H6O3S/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23;7-10(8,9)6-4-2-1-3-5-6/h3-4,8-11,15-16H,5-7,1show more
    Synonyms
    benzenesulfonic acid;10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine | (+/-)-10-(2-(1-METHYL-2-PIP...
  11. Boc-L-glutamic acid alpha-9-fluorenylmethyl ester
    CAS: 133906-29-3 PubChem CID: 131685 Formula: C24H27NO6 Molecular Weight: 425.47
    Solid ≥98%
    ● In Stock — US Item #: B356472
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    IUPAC Name
    (4S)-5-(9H-fluoren-9-ylmethoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
    SMILES
    CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
    InChIKey
    KSYVYHUPZNONJS-FQEVSTJZSA-N
    InChI
    1S/C24H27NO6/c1-24(2,3)31-23(29)25-20(12-13-21(26)27)22(28)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,2show more
    Synonyms
    Boc-Glu-Ofm | SCHEMBL7326541 | (4S)-5-(9H-fluoren-9-ylmethoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentano...
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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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