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

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 (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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Showing 2401-2412 of 136,967

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  1. Boc-L-leucine chloromethylketone
    CAS: 102123-85-3 Formula: C12H22ClNO3 Molecular Weight: 263.76
    ● In Stock — US Item #: B356619
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    IUPAC Name
    tert-butyl N-[(3S)-1-chloro-5-methyl-2-oxohexan-3-yl]carbamate
    SMILES
    CC(C)CC(C(=O)CCl)NC(=O)OC(C)(C)C
    InChIKey
    ZNJWTNDBZSOFFP-VIFPVBQESA-N
    InChI
    1S/C12H22ClNO3/c1-8(2)6-9(10(15)7-13)14-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,16)/t9-/m0/s1
    Synonyms
    MFCD00672492 | (S)-tert-butyl 1-chloro-5-methyl-2-oxohexan-3-ylcarbamate | Boc-L-Leu-chloromethylketone | AS-49253 | ...
  2. Ammonium dodecanedioate
    CAS: 59864-79-8 Formula: C12H28N2O4 Molecular Weight: 264.36
    ● In Stock — US Item #: A304102
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    IUPAC Name
    azane;dodecanedioic acid
    SMILES
    C(CCCCCC(=O)O)CCCCC(=O)O.N
    InChIKey
    AGVBUFRTWKTYON-UHFFFAOYSA-N
    InChI
    1S/C12H22O4.H3N/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;/h1-10H2,(H,13,14)(H,15,16);1H3
    Synonyms
    DTXSID60975265 | MFCD10566380 | AMMONIUM DODECANEDIOATE | azane;dodecanedioic acid | SCHEMBL2152515 | Dodecanedioic a...
  3. Boc-L-pyroglutamic acid dicyclohexylammonium salt
    CAS: 4677-75-2 PubChem CID: 51066626 Formula: C10H15NO5·C12H23N Molecular Weight: 410.55
    ● In Stock — US Item #: B357027
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    IUPAC Name
    dicyclohexylazanium;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylate
    SMILES
    CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2
    InChIKey
    RAVPEAYKLPOILD-ZCMDIHMWSA-N
    InChI
    1S/C12H23N.C10H15NO5/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h11-13H,1-10H2;6H,4-5H2,1-3H3,(H,13,14)/t;6-/m.0/s1
    Synonyms
    Boc-Pyr-OH Dcha
  4. Acesulfame K
    CAS: 55589-62-3 EC Number: 259-715-3 Formula: C4H4KNO4S Molecular Weight: 201.24
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US Item #: A113942
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    IUPAC Name
    potassium;6-methyl-2,2-dioxo-1-oxa-2λ6-thia-3-azanidacyclohex-5-en-4-one
    SMILES
    CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]
    InChIKey
    WBZFUFAFFUEMEI-UHFFFAOYSA-M
    InChI
    1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
    Synonyms
    4-(1H-Tetrazol-1-yl)benzoic acid, AldrichCPR | INS-950 | 1-Phenyl-3-(pyridin-3-yl)urea | Acesulfame potassium, Europe...
  5. Boc-L-4-carbamoylphenylalanine
    CAS: 205126-71-2 PubChem CID: 2762273 Formula: C15H20N2O5 Molecular Weight: 308.33
    ● In Stock — US Item #: B356210
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    Technical Identifiers
    IUPAC Name
    (2S)-3-(4-carbamoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
    SMILES
    CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=O)N)C(=O)O
    InChIKey
    OJOCXVKXBATIDB-NSHDSACASA-N
    InChI
    1S/C15H20N2O5/c1-15(2,3)22-14(21)17-11(13(19)20)8-9-4-6-10(7-5-9)12(16)18/h4-7,11H,8H2,1-3H3,(H2,16,18)(H,17,21)(H,19,20)/t11-/m0/s1
    Synonyms
    J-004484 | Boc-L-4-carbamoyl phenylalanine | Boc-L-4-Carbamoylphe | BOC-D-4-CARBAMOYLPHENYLALANINE | MFCD01317030 | b...
  6. Silicon Sulfide
    CAS: 13759-10-9 EC Number: 237-344-8 PubChem CID: 83705 Formula: SiS2 Molecular Weight: 92.21
    Solid ≥99%
    ● In Stock — US Item #: S302517
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    Technical Identifiers
    IUPAC Name
    bis(sulfanylidene)silane
    SMILES
    [Si](=S)=S
    InChIKey
    KHDSWONFYIAAPE-UHFFFAOYSA-N
    InChI
    1S/S2Si/c1-3-2
    Synonyms
    Silicon sulfide (SiS2) | Silicon disulfide | bis(sulfanylidene)silane
  7. Aceclofenac, Cyclooxygenase-2 inhibitor
    CAS: 89796-99-6 EC Number: 641-844-5 Formula: C16H13Cl2NO4 Molecular Weight: 354.18
    Solid ≥98%(HPLC)
    ● In Stock — US Item #: A151117
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    IUPAC Name
    2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid
    SMILES
    C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl
    InChIKey
    MNIPYSSQXLZQLJ-UHFFFAOYSA-N
    InChI
    1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)
    Synonyms
    HMS2090G07 | MLS002154226 | 2-((2,6-Dichlorophenyl)amino)benzeneacetic acid carboxymethyl ester | ClanzaCR | D01545 |...
  8. Paradol
    CAS: 27113-22-0 Formula: C17H26O3 Molecular Weight: 278.39
    ● In Stock — US Item #: P125450
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    IUPAC Name
    1-(4-hydroxy-3-methoxyphenyl)decan-3-one
    SMILES
    CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC
    InChIKey
    CZNLTCTYLMYLHL-UHFFFAOYSA-N
    InChI
    1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3
    Synonyms
    Q3363309 | HY-14617 | FT-0775579 | HYDROXYMETHOXYPHENYL DECANONE | 6-Paradol | CCG-267231 | 1-(4-Hydroxy-3-methoxyphe...
  9. Acetylcholine-d9 Chloride
    CAS: 344298-95-9 Formula: C7H7D9ClNO2 Molecular Weight: 190.72
    ◐ .Made to order · 8–12 wks Item #: A353807
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    Technical Identifiers
    IUPAC Name
    2-acetyloxyethyl-tris(trideuteriomethyl)azanium;chloride
    SMILES
    CC(=O)OCC[N+](C)(C)C.[Cl-]
    InChIKey
    JUGOREOARAHOCO-WWMMTMLWSA-M
    InChI
    1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i2D3,3D3,4D3;
    Synonyms
    2-(Acetyloxy)-N,N,N,-trimethylethanaminium-d9 Chloride) | Acetylcholine-d9 Chloride | Acetylcholine-d9 (chloride) | A...
  10. Psoralen
    CAS: 66-97-7 EC Number: 200-639-7 Formula: C11H6NO3 Molecular Weight: 186.16
    ● In Stock — US Item #: P101249
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    IUPAC Name
    furo[3,2-g]chromen-7-one
    SMILES
    C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
    InChIKey
    ZCCUUQDIBDJBTK-UHFFFAOYSA-N
    InChI
    1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
    Synonyms
    7H-Furo(3,2-g)(1)benzopyran-7-one | BRD-K47264279-001-01-4 | DTXSID00216205 | 6-hydroxy-5-benzofuranacrylic Acid deta...
  11. Boc-L-Phe(4-NHZ)-OH
    CAS: 55533-25-0 Formula: C22H26N2O6 Molecular Weight: 414.44
    ● In Stock — US Item #: B355377
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    Technical Identifiers
    IUPAC Name
    (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoic acid
    SMILES
    CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2)C(=O)O
    InChIKey
    VEVIIGJEOXYKAV-SFHVURJKSA-N
    InChI
    1S/C22H26N2O6/c1-22(2,3)30-21(28)24-18(19(25)26)13-15-9-11-17(12-10-15)23-20(27)29-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,show more
    Synonyms
    AKOS025289391 | SCHEMBL7240841 | (2S)-3-(4-{[(benzyloxy)carbonyl]amino}phenyl)-2-{[(tert-butoxy)carbonyl]amino}propan...
  12. Boc-L-Trp-ONp
    CAS: 15160-31-3 PubChem CID: 12932252 Formula: C22H23N3O6 Molecular Weight: 425.43
    ● In Stock — US Item #: B357345
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    IUPAC Name
    (4-nitrophenyl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
    SMILES
    CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
    InChIKey
    LQGKMKBNHAFRBV-IBGZPJMESA-N
    InChI
    1S/C22H23N3O6/c1-22(2,3)31-21(27)24-19(12-14-13-23-18-7-5-4-6-17(14)18)20(26)30-16-10-8-15(9-11-16)25(28)29/h4-11,13,19,23H,12H2,1-3H3,(H,24,27)/t19-/show more
    Synonyms
    4-nitrophenyl N-[(tert-butoxy)carbonyl]-L-tryptophanate | (S)-4-nitrophenyl 2-(tert-butoxycarbonylamino)-3-(1H-indol-...
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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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