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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 (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. Isopropamide Iodide, Muscarinic acetylcholine receptor M1 antagonist
    CAS: 71-81-8 Formula: C23H33IN2O Molecular Weight: 480.43
    ● In Stock — US warehouse, ships to EU* Item #: I304474
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    Technical Identifiers
    IUPAC Name
    (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium;iodide
    SMILES
    CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C.[I-]
    InChIKey
    BFSMWENDZZIWPW-UHFFFAOYSA-N
    InChI
    1S/C23H32N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H
    Synonyms
    HMS1920H11 | 4-Amino-N,N-diisopropyl-N-methyl-4-oxo-3,3-diphenylbutan-1-aminium iodide | NSC 15521 | Opera_ID_466 | i...
  2. N,N'-Bis(2,2,6,6-tetramethyl-4-piperidyl)-N,N'-diformylhexamethylenediamine
    CAS: 124172-53-8 EC Number: 602-984-2 Formula: C26H50N4O2 Molecular Weight: 450.7
    Solid ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: N302285
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    IUPAC Name
    N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
    SMILES
    CC1(CC(CC(N1)(C)C)N(CCCCCCN(C=O)C2CC(NC(C2)(C)C)(C)C)C=O)C
    InChIKey
    UONLDZHKYCFZRW-UHFFFAOYSA-N
    InChI
    1S/C26H50N4O2/c1-23(2)15-21(16-24(3,4)27-23)29(19-31)13-11-9-10-12-14-30(20-32)22-17-25(5,6)28-26(7,8)18-22/h19-22,27-28H,9-18H2,1-8H3
    Synonyms
    Formamide, N,N-1,6-hexanediylbisN-(2,2,6,6-tetramethyl-4-piperidinyl)- | Formamide, N,N'-1,6-hexanediylbis[N-(2,2,6,6...
  3. FK 3311
    CAS: 116686-15-8 Formula: C15H13F2NO4S Molecular Weight: 341.33
    ● In Stock — US warehouse, ships to EU* Item #: F287097
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    IUPAC Name
    N-[4-acetyl-2-(2,4-difluorophenoxy)phenyl]methanesulfonamide
    SMILES
    CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)OC2=C(C=C(C=C2)F)F
    InChIKey
    DIIYLGZNZGPXRR-UHFFFAOYSA-N
    InChI
    1S/C15H13F2NO4S/c1-9(19)10-3-5-13(18-23(2,20)21)15(7-10)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3
    Synonyms
    DTXSID90151474 | EX-A545 | AC-35975 | AKOS024457289 | N-(4-Acetyl-2-(2,4-difluorophenoxy)phenyl)methanesulfonamide | ...
  4. Tert-Butyl(1R,2S,5S)-2-azido-5-[(dimethylamino)carbonyl]cyclohexylcarbamate oxalic acid
    CAS: 1353893-22-7 PubChem CID: 121493917 Formula: C16H31N3O8 Molecular Weight: 393.44
    ◐ .Made to order · 8–12 wks Item #: T302468
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    IUPAC Name
    tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic acid;hydrate
    SMILES
    CC(C)(C)OC(=O)NC1CC(CCC1N)C(=O)N(C)C.C(=O)(C(=O)O)O.O
    InChIKey
    ITHHOLNNUWAHNP-MTFBGNCFSA-N
    InChI
    1S/C14H27N3O3.C2H2O4.H2O/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5;3-1(4)2(5)6;/h9-11H,6-8,15H2,1-5H3,(H,16,19);(H,3,4)(H,5,6);1H2/t9-,10show more
  5. Mycophenolic Acid Acyl-β-D-glucuronide
    CAS: 99043-04-6 PubChem CID: 10028772 Formula: C23H28O12 Molecular Weight: 496.46
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: M356530
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    IUPAC Name
    (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylic acid
    SMILES
    CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O
    InChIKey
    QBMSTEZXAMABFF-UEARNRKISA-N
    InChI
    1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3show more
    Synonyms
    B96732OXNA | .BETA.-D-GLUCOPYRANURONIC ACID, 1-((4E)-6-(1,3-DIHYDRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURA...
  6. FTBMT
    CAS: 1358575-02-6 Formula: C19H16F4N4O Molecular Weight: 392.35
    ◐ .Made to order · 8–12 wks Item #: F288397
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    IUPAC Name
    4-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2,4-triazol-1-yl]-2-methylbenzamide
    SMILES
    CC1=C(C=CC(=C1)N2C(=NC(=N2)CC3=CC(=CC(=C3)F)C(F)(F)F)C)C(=O)N
    InChIKey
    TYXSIXOYTBHZFA-UHFFFAOYSA-N
    InChI
    1S/C19H16F4N4O/c1-10-5-15(3-4-16(10)18(24)28)27-11(2)25-17(26-27)8-12-6-13(19(21,22)23)9-14(20)7-12/h3-7,9H,8H2,1-2H3,(H2,24,28)
    Synonyms
    4-[3-[[3-Fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-1-yl]-2-methylbenzamide
  7. L-Alanine methylamide hydrochloride
    CAS: 61275-22-7 Formula: C4H10N2O·HCl Molecular Weight: 138.6
    ● In Stock — US warehouse, ships to EU* Item #: L354750
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    IUPAC Name
    (2S)-2-amino-N-methylpropanamide;hydrochloride
    SMILES
    CC(C(=O)NC)N.Cl
    InChIKey
    UHWFDFLWTAIHRE-DFWYDOINSA-N
    InChI
    1S/C4H10N2O.ClH/c1-3(5)4(7)6-2;/h3H,5H2,1-2H3,(H,6,7);1H/t3-;/m0./s1
    Synonyms
    DS-16853 | MFCD00237739 | FD21069 | H-ALA-NHME HCL | (S)-2-Amino-N-methylpropanamide hydrochloride | Propanamide,2-am...
  8. FPA 124
    CAS: 902779-59-3 Formula: C11H9Cl2CuN3O2S Molecular Weight: 381.73
    ◐ .Made to order · 8–12 wks Item #: F287149
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    IUPAC Name
    dichlorocopper;[(Z)-(4-oxochromen-3-yl)methylideneamino]thiourea
    SMILES
    C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=S)N.Cl[Cu]Cl
    InChIKey
    HZRXQEVFXXQYFS-KHDHKOIVSA-L
    InChI
    1S/C11H9N3O2S.2ClH.Cu/c12-11(17)14-13-5-7-6-16-9-4-2-1-3-8(9)10(7)15;;;/h1-6H,(H3,12,14,17);2*1H;/q;;;+2/p-2/b13-5-;;;
    Synonyms
    Dichloro[(2Z)-2-[(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazinecarbothioamide copper complex
  9. (2S)-Isoxanthohumol
    CAS: 70872-29-6 Formula: C21H22O5 Molecular Weight: 354.4
    ● In Stock — US warehouse, ships to EU* Item #: I276190
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    IUPAC Name
    (2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    SMILES
    CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C
    InChIKey
    YKGCBLWILMDSAV-SFHVURJKSA-N
    InChI
    1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3/t18-/m0/s1
    Synonyms
    s9070 | CCG-268085 | DTXSID101045280 | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydr...
  10. Ispinesib, Kinesin-like protein 1 inhibitor
    CAS: 336113-53-2 EC Number: 112-348-1 Formula: C30H33ClN4O2 Molecular Weight: 517.06
    ◐ .Made to order · 8–12 wks Item #: I125476
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    IUPAC Name
    N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
    SMILES
    CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C
    InChIKey
    QJZRFPJCWMNVAV-HHHXNRCGSA-N
    InChI
    1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27Hshow more
    Synonyms
    DB06188 | Benzamide, N-(3-aminopropyl)-N-((1R)-1-(7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl)-2-methy...
  11. Thalidomide fluoride
    CAS: 835616-60-9 PubChem CID: 11859051 Formula: C13H9FN2O4 Molecular Weight: 276.22
    ● In Stock — US warehouse, ships to EU* Item #: T304742
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    IUPAC Name
    2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
    SMILES
    C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)F
    InChIKey
    CRAUTELYXAAAPW-UHFFFAOYSA-N
    InChI
    1S/C13H9FN2O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5H2,(H,15,17,18)
    Synonyms
    E3 ligase Ligand 4 | E3 ligase Ligand 4(TC-E3 5032) | MFCD11840666 | FT-0774298 | LCZC1115 | US11059801, Compound D-1...
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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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