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. LM22A-4
    CAS: 37988-18-4 Formula: C15H21N3O6 Molecular Weight: 339.34
    ● In Stock — US warehouse, ships to EU* Item #: L276057
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    Technical Identifiers
    IUPAC Name
    1-N,3-N,5-N-tris(2-hydroxyethyl)benzene-1,3,5-tricarboxamide
    SMILES
    C1=C(C=C(C=C1C(=O)NCCO)C(=O)NCCO)C(=O)NCCO
    InChIKey
    RGWJKANXFYJKHN-UHFFFAOYSA-N
    InChI
    1S/C15H21N3O6/c19-4-1-16-13(22)10-7-11(14(23)17-2-5-20)9-12(8-10)15(24)18-3-6-21/h7-9,19-21H,1-6H2,(H,16,22)(H,17,23)(H,18,24)
    Synonyms
    LM 22A4 | LM22a4 | LM-22A4 | LM22A-4 | N1,N3,N5-Tris(2-hydroxyethyl)-1,3,5-benzenetricarboxamide | 5GCL3P6AF5 | N,N',...
  2. Fmoc-D-homoleucine
    CAS: 204320-60-5 Formula: C22H25NO4 Molecular Weight: 367.44
    ● In Stock — US warehouse, ships to EU* Item #: F338617
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    IUPAC Name
    (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
    SMILES
    CC(C)CCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
    InChIKey
    UJOQOPBFLFQOJJ-HXUWFJFHSA-N
    InChI
    1S/C22H25NO4/c1-14(2)11-12-20(21(24)25)23-22(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t20-/mshow more
    Synonyms
    (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-methylhexanoicacid | AKOS016843066 | DS-18382 | Fmoc-D-homoleucin...
  3. Fmoc-DL-isoserine
    CAS: 161125-36-6 Formula: C18H17NO5 Molecular Weight: 327.3
    ● In Stock — US warehouse, ships to EU* Item #: F339076
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    IUPAC Name
    3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxypropanoic acid
    SMILES
    C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(C(=O)O)O
    InChIKey
    OOFCRVWLJFLVCB-UHFFFAOYSA-N
    InChI
    1S/C18H17NO5/c20-16(17(21)22)9-19-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,19,23)(H,21,22)
    Synonyms
    fmoc-dl-isoserine | SCHEMBL1764428 | Fmoc-dl-isoser-oh | FMOC-isoserine | 3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amin...
  4. LM22B 10
    CAS: 342777-54-2 Formula: C27H33ClN2O4 Molecular Weight: 485.02
    ● In Stock — US warehouse, ships to EU* Item #: L287121
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    Technical Identifiers
    IUPAC Name
    2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)anilino]ethanol
    SMILES
    C1=CC(=CC=C1C(C2=CC=C(C=C2)N(CCO)CCO)C3=CC=C(C=C3)Cl)N(CCO)CCO
    InChIKey
    QCXQLSGBOUUVNH-UHFFFAOYSA-N
    InChI
    1S/C27H33ClN2O4/c28-24-7-1-21(2-8-24)27(22-3-9-25(10-4-22)29(13-17-31)14-18-32)23-5-11-26(12-6-23)30(15-19-33)16-20-34/h1-12,27,31-34H,13-20H2
    Synonyms
    2,2',2',2'''-[[(4-Chlorophenyl)methylene]bis(4,1-phenylenenitrilo)]tetrakisethanol
  5. LMK 235
    CAS: 1418033-25-6 Formula: C15H22N2O4 Molecular Weight: 294.35
    ● In Stock — US warehouse, ships to EU* Item #: L275949
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    Technical Identifiers
    IUPAC Name
    N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide
    SMILES
    CC1=CC(=CC(=C1)C(=O)NOCCCCCC(=O)NO)C
    InChIKey
    VRYZCEONIWEUAV-UHFFFAOYSA-N
    InChI
    1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
    Synonyms
    EX-A1115 | LMK 235 | MFCD26522892 | N-[6-(hydroxyamino)-6-oxo-hexoxy]-3,5-dimethyl-benzamide | N-[6-(hydroxyamino)-6-...
  6. LOC14
    CAS: 877963-94-5 Formula: C16H19N3O2S Molecular Weight: 317.41
    ● In Stock — US warehouse, ships to EU* Item #: L288383
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    IUPAC Name
    2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
    SMILES
    C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3
    InChIKey
    YVBSNHLFRIVWFQ-UHFFFAOYSA-N
    InChI
    1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2
  7. LOE 908 hydrochloride
    CAS: 143482-60-4 Formula: C41H48N2O9.HCl Molecular Weight: 749.29
    ◐ .Made to order · 8–12 wks Item #: L288729
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    IUPAC Name
    2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-N,N-bis[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide;hydrochloride
    SMILES
    COC1=C(C(=C(C=C1)CCN(CCC2=C(C(=C(C=C2)OC)OC)OC)C(=O)C(C3=CC=CC=C3)C4=NCCC5=CC(=C(C=C54)OC)OC)OC)OC.Cl
    InChIKey
    UDKSNBMNKLDHNK-UHFFFAOYSA-N
    InChI
    1S/C41H48N2O9.ClH/c1-45-31-16-14-27(37(49-5)39(31)51-7)19-22-43(23-20-28-15-17-32(46-2)40(52-8)38(28)50-6)41(44)35(26-12-10-9-11-13-26)36-30-25-34(48-show more
    Synonyms
    LOE908Hydrochloride | DTXCID8026305 | Pinokalant hydrochloride | HY-107756 | J-008619 | CAS-143482-60-4 | LOE 908 hyd...
  8. LP 533401 hydrochloride
    CAS: 1040526-12-2 Formula: C27H22F4N4O3・HCl Molecular Weight: 562.94
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%
    ● In Stock — US warehouse, ships to EU* Item #: L342412
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    IUPAC Name
    (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid;hydrochloride
    SMILES
    C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)CC(C(=O)O)N)N.Cl
    InChIKey
    BHBWZCUMIXCDPM-CHXZROHQSA-N
    InChI
    1S/C27H22F4N4O3.ClH/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37;/h1-11,13-14show more
    Synonyms
    LP-533401 | LP533401
  9. LP 922056
    CAS: 1365060-22-5 Formula: C11H9ClN2O2S2 Molecular Weight: 300.78
    ● In Stock — US warehouse, ships to EU* Item #: L287036
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    Technical Identifiers
    IUPAC Name
    2-(6-chloro-7-cyclopropylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
    SMILES
    C1CC1C2=C(SC3=C2N=CN=C3SCC(=O)O)Cl
    InChIKey
    LJYRIWUQISYYHA-UHFFFAOYSA-N
    InChI
    1S/C11H9ClN2O2S2/c12-10-7(5-1-2-5)8-9(18-10)11(14-4-13-8)17-3-6(15)16/h4-5H,1-3H2,(H,15,16)
    Synonyms
    2-[(6-Chloro-7-cyclopropylthieno[3,2-d]pyrimidin-4-yl)thio]acetic acid
  10. LP-12 hydrochloride
    CAS: 1185136-22-4 Formula: C32H39N3O.HCl Molecular Weight: 518.13
    ◐ .Made to order · 8–12 wks Item #: L274651
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    Technical Identifiers
    IUPAC Name
    6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide;hydrochloride
    SMILES
    C1CC(C2=CC=CC=C2C1)NC(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4C5=CC=CC=C5.Cl
    InChIKey
    XNDUOTNYUWDFKR-UHFFFAOYSA-N
    InChI
    1S/C32H39N3O.ClH/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27;/h1,3-4,6-9,12-14,show more
    Synonyms
    4-(2-Diphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-piperazinehexanamidehydrochloride | LP 12 hydrochloride hydrat...
  11. LP-44
    CAS: 824958-12-5 Formula: C27H38ClN3OS Molecular Weight: 488.13
    ◐ .Made to order · 8–12 wks Item #: L274948
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    Technical Identifiers
    IUPAC Name
    6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide;hydrochloride
    SMILES
    CSC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=CC=CC=C34.Cl
    InChIKey
    DWGKCWWWKHCVDH-UHFFFAOYSA-N
    InChI
    1S/C27H37N3OS.ClH/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24;/h4-7,10,12,14-15,24H,2-3,8-9,11show more
    Synonyms
    4-[2-(Methylthio)phenyl]-N-(1,2,3,4-tetrahydro-1-naphth alenyl)-1-piperazinehexanamide hydrochloride | LP44 | UNII-M5...
  12. LU AA33810
    CAS: 304008-29-5 Formula: C19H25N3O2S3 Molecular Weight: 423.62
    ● In Stock — US warehouse, ships to EU* Item #: L288774
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    Technical Identifiers
    IUPAC Name
    N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide
    SMILES
    CS(=O)(=O)NCC1CCC(CC1)NC2=NC3=C(S2)CCSC4=CC=CC=C43
    InChIKey
    UWSBTSAJZMIHBL-UHFFFAOYSA-N
    InChI
    1S/C19H25N3O2S3/c1-27(23,24)20-12-13-6-8-14(9-7-13)21-19-22-18-15-4-2-3-5-16(15)25-11-10-17(18)26-19/h2-5,13-14,20H,6-12H2,1H3,(H,21,22)
    Synonyms
    SCHEMBL14528347 | N-[[trans-4-[(4,5-Dihydro[1]benzothiepino[5,4-d]thiazol-2-yl)amino]cyclohexyl]methyl]methanesulfona...
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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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