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. 1,4-Dichloro-5,6,7,8-tetrahydrophthalazine
    CAS: 67279-24-7 Formula: C8H8Cl2N2 Molecular Weight: 203.07
    ● In Stock — US warehouse, ships to EU* Item #: D401599
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    Technical Identifiers
    IUPAC Name
    1,4-dichloro-5,6,7,8-tetrahydrophthalazine
    SMILES
    C1CCC2=C(C1)C(=NN=C2Cl)Cl
    InChIKey
    KLFNXIXNWZZRLE-UHFFFAOYSA-N
    InChI
    1S/C8H8Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H2
    Synonyms
    SCHEMBL587789 | C76119 | AKOS022174578 | 1,4-Dichloro-5,6,7,8-tetrahydrophthalazine | 1,4-dichloro-5,6,7,8-tetrahydro...
  2. 1,5-Diaminopentane Dihydrochloride
    CAS: 1476-39-7 EC Number: 216-022-0 Formula: C5H14N2·2HCl Molecular Weight: 175.10
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: D111805
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    IUPAC Name
    pentane-1,5-diamine;dihydrochloride
    SMILES
    C(CCN)CCN.Cl.Cl
    InChIKey
    FGNLEIGUMSBZQP-UHFFFAOYSA-N
    InChI
    1S/C5H14N2.2ClH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H
    Synonyms
    Cadaverine dihydrochloride, ~98% | CHEBI:64701 | 1,5-Pentanediamine dihydrochloride | G 641 | NSC 129885 | Cadaverine...
  3. 1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea
    CAS: 508186-14-9 Formula: C20H18N4O2S2 Molecular Weight: 410.51
    ● In Stock — US warehouse, ships to EU* Item #: D193642
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    IUPAC Name
    1-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-(2-methoxyethyl)urea
    SMILES
    COCCNC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CS3)C4=CC=CS4
    InChIKey
    CTPVNWVUAGMHEJ-UHFFFAOYSA-N
    InChI
    1S/C20H18N4O2S2/c1-26-9-8-21-20(25)22-13-6-7-14-15(12-13)24-19(17-5-3-11-28-17)18(23-14)16-4-2-10-27-16/h2-7,10-12H,8-9H2,1H3,(H2,21,22,25)
    Synonyms
    Ac-CoA Synthase Inhibitor - CAS 508186-14-9 - Calbiochem, 1-(2,3-di(Thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)...
  4. 1-(3-Chloroanilino)-4-phenylphthalazine
    CAS: 78351-75-4 Formula: C20H14ClN3 Molecular Weight: 331.8
    ● In Stock — US warehouse, ships to EU* Item #: C153352
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    IUPAC Name
    N-(3-chlorophenyl)-4-phenylphthalazin-1-amine
    SMILES
    C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Cl
    InChIKey
    CEHQLKSLMFIHBF-UHFFFAOYSA-N
    InChI
    1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
    Synonyms
    1-(3-chlorophenylamino)-4-phenylphthalazine | BSPBio_003225 | NCGC00024587-03 | HMS1989D22 | MFCD00209838 | MY-5445 |...
  5. 1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
    CAS: 1292836-16-8 Formula: C8H5ClFNO3 Molecular Weight: 217.58
    ● In Stock — US warehouse, ships to EU* Item #: C489251
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    Technical Identifiers
    IUPAC Name
    1-(4-chloro-2-fluoro-5-nitrophenyl)ethanone
    SMILES
    CC(=O)C1=CC(=C(C=C1F)Cl)[N+](=O)[O-]
    InChIKey
    CGOODLQYGNBCGQ-UHFFFAOYSA-N
    InChI
    1S/C8H5ClFNO3/c1-4(12)5-2-8(11(13)14)6(9)3-7(5)10/h2-3H,1H3
    Synonyms
    1-(4-Chloro-2-fluoro-5-nitro-phenyl)-ethanone;1-(4-chloro-2-fluoro-5-nitrophenyl)ethan-1-one;EOS-61419;Ethanone
  6. 1-Cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione
    CAS: 1391054-37-7 Formula: C11H9FO2 Molecular Weight: 192.19
    ◐ .Made to order · 8–12 wks Item #: C190799
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    Technical Identifiers
    IUPAC Name
    1-cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione
    SMILES
    C1CC1C(=O)C(=O)C2=CC=CC=C2F
    InChIKey
    FLCZRRMMACTIMB-UHFFFAOYSA-N
    InChI
    1S/C11H9FO2/c12-9-4-2-1-3-8(9)11(14)10(13)7-5-6-7/h1-4,7H,5-6H2
    Synonyms
    1-cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione | SCHEMBL13249018 | 1-cyclopropyl-2-(2-fluorophenyl)-1,2-Ethanedione...
  7. 1-Ethyl-1-nitrosourea(ENU)
    CAS: 759-73-9 EC Number: 212-072-2 Formula: C3H7N3O2 Molecular Weight: 117.11
    ● In Stock — US warehouse, ships to EU* Item #: N136865
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    IUPAC Name
    1-ethyl-1-nitrosourea
    SMILES
    CCN(C(=O)N)N=O
    InChIKey
    FUSGACRLAFQQRL-UHFFFAOYSA-N
    InChI
    1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
    Synonyms
    DTXCID20593 | ENU | SCHEMBL77485 | Urea, N-ethyl-N-nitroso- | N-Ethyl-N-nitrosourea | N-Ethyl-N-nitroso-urea | Ethyl ...
  8. 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
    CAS: 701-44-0 Formula: C7H8N2O2 Molecular Weight: 152.15
    ● In Stock — US warehouse, ships to EU* Item #: M194672
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    IUPAC Name
    1-methyl-6-oxopyridine-3-carboxamide
    SMILES
    CN1C=C(C=CC1=O)C(=O)N
    InChIKey
    JLQSXXWTCJPCBC-UHFFFAOYSA-N
    InChI
    1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)
    Synonyms
    MFCD00457283 | 3-Pyridinecarboxamide, 1,6-dihydro-1-methyl-6-oxo- | JLQSXXWTCJPCBC-UHFFFAOYSA-N | HY-113432 | 2PY | 1...
  9. 1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]ethanone
    CAS: 65490-09-7 Formula: C12H16O6 Molecular Weight: 256.25
    ● In Stock — US warehouse, ships to EU* Item #: H404542
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    IUPAC Name
    1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]ethanone
    SMILES
    CC(=O)C1=C(C=C(C=C1OCOC)OCOC)O
    InChIKey
    QRBAILXEWUGUQB-UHFFFAOYSA-N
    InChI
    1S/C12H16O6/c1-8(13)12-10(14)4-9(17-6-15-2)5-11(12)18-7-16-3/h4-5,14H,6-7H2,1-3H3
    Synonyms
    1-(2-Hydroxy-4,6-bis(methoxymethoxy)phenyl)ethanone | 2 inverted exclamation mark ,4 inverted exclamation mark -Bis(m...
  10. 16,17-Epoxyprogesterone
    CAS: 1097-51-4 Formula: C21H28O3 Molecular Weight: 328.45
    ● In Stock — US warehouse, ships to EU* Item #: E189656
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    IUPAC Name
    (1R,2S,4R,6S,7S,10S,11R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one
    SMILES
    CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C
    InChIKey
    LHNVKVKZPHUYQO-SRWWVFQWSA-N
    InChI
    1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/sshow more
    Synonyms
    16a,17a-Epoxy-4-Pregnen-3,20-Dione | 16alpha,17alpha-Epoxy-4-pregnen-3,20-dione | F2DR02G069 | HMS2090P21 | 16.ALPHA....
  11. 15(S)-15-methyl Prostaglandin F2α
    CAS: 35700-23-3 Formula: C21H36O5 Molecular Weight: 368.5
    ● In Stock — US warehouse, ships to EU* Item #: M337816
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    Technical Identifiers
    IUPAC Name
    (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
    SMILES
    CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
    InChIKey
    DLJKPYFALUEJCK-IIELGFQLSA-N
    InChI
    1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-show more
    Synonyms
    15-methyl-pgf2.alpha. | Carboprostum [INN-Latin] | 15(S)-Methylprostaglandin F2-alpha | 15-methylprostaglandin f2.alp...
  12. 17α-Hydroxyprogesterone Acetate
    CAS: 302-23-8 EC Number: 206-119-6 Formula: C23H32O4 Molecular Weight: 372.51
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: H283594
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    Technical Identifiers
    IUPAC Name
    [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
    SMILES
    CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OC(=O)C
    InChIKey
    VTHUYJIXSMGYOQ-KOORYGTMSA-N
    InChI
    1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/sshow more
    Synonyms
    HYDROXYPROGESTERONE ACETATE [WHO-DD] | 17-(Acetyloxy)pregn-4-ene-3,20-dione | cid_258436 | NCIOpen2_001154 | NSC 1219...
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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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