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 (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. 7-Methoxy-2,2-dimethylchromene
    CAS: 17598-02-6 EC Number: 241-566-0 Formula: C12H14O2 Molecular Weight: 190.2
    ● In Stock — US Item #: M338407
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    Technical Identifiers
    IUPAC Name
    7-methoxy-2,2-dimethylchromene
    SMILES
    CC1(C=CC2=C(O1)C=C(C=C2)OC)C
    InChIKey
    CPTJXGLQLVPIGP-UHFFFAOYSA-N
    InChI
    1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3
    Synonyms
    Precocene I | 7-methoxy-2,2-dimethyl-2H-chromene | 6-Demethoxyageratochromene | 7-Methoxy-2,2-dimethyl-3-chromene | 2...
  2. 7-Methoxy-2,3-dihydro-1H-indole
    CAS: 334986-99-1 Formula: C9H11NO Molecular Weight: 149.19
    Liquid ≥97%
    ◐ .Made to order · 8–12 wks Item #: M336375
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    Technical Identifiers
    IUPAC Name
    7-methoxy-2,3-dihydro-1H-indole
    SMILES
    COC1=CC=CC2=C1NCC2
    InChIKey
    QLVATPFLTCNUBR-UHFFFAOYSA-N
    InChI
    1S/C9H11NO/c1-11-8-4-2-3-7-5-6-10-9(7)8/h2-4,10H,5-6H2,1H3
    Synonyms
    7-Methoxyindoline | BS-16888 | 7-methoxy-2,3-dihydro-1H-indole, AldrichCPR | QLVATPFLTCNUBR-UHFFFAOYSA-N | FT-0692963...
  3. 7-Methoxy-9-methylphenazine-1-carboxylic acid
    CAS: 83297-77-2 Formula: C15H12N2O3 Molecular Weight: 268.27
    ◐ .Made to order · 8–12 wks Item #: M344114
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    Technical Identifiers
    IUPAC Name
    7-methoxy-9-methylphenazine-1-carboxylic acid
    SMILES
    CC1=CC(=CC2=NC3=CC=CC(=C3N=C12)C(=O)O)OC
    InChIKey
    MWYAWOIYZAYOOL-UHFFFAOYSA-N
    InChI
    1S/C15H12N2O3/c1-8-6-9(20-2)7-12-13(8)17-14-10(15(18)19)4-3-5-11(14)16-12/h3-7H,1-2H3,(H,18,19)
    Synonyms
    DTXSID80587521 | MFCD08056188 | AKOS005256793 | 7-Methoxy-9-methyl-phenazine-1-carboxylic acid | 7-Methoxy-9-methylph...
  4. 7-Methoxychroman-4-one
    CAS: 42327-52-6 EC Number: 839-776-8 Formula: C10H10O3 Molecular Weight: 178.19
    ● In Stock — US Item #: M303696
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    IUPAC Name
    7-methoxy-2,3-dihydrochromen-4-one
    SMILES
    COC1=CC2=C(C=C1)C(=O)CCO2
    InChIKey
    DISYDHABSCTQFK-UHFFFAOYSA-N
    InChI
    1S/C10H10O3/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-3,6H,4-5H2,1H3
    Synonyms
    7-METHOXY-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE | 7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one | EU-0000937 | 2,3-Dihydro-7-m...
  5. ACTH [1-17]
    CAS: 7266-47-9 PubChem CID: 71312141 Formula: C95H145N29O23S Molecular Weight: 2093.41
    ● In Stock — US Item #: A118750
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    IUPAC Name
    (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(1S)-4-carbamimidamido-1-carbshow more
    SMILES
    CC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCNC(=N)N)NC(show more
    InChIKey
    MXNMAFWEFLFAJN-QBQLSIIBSA-N
    InChI
    1S/C95H145N29O23S/c1-53(2)78(91(144)109-49-75(128)111-62(22-9-12-35-96)81(134)113-63(23-10-13-36-97)82(135)117-68(93(146)147)26-16-39-106-95(102)103)1show more
    Synonyms
    Adrenocorticotropic Hormone Fragment 1-17 human | Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-Gly-Lys-Lys-Arg
  6. Ethyl 7-bromo-4-chloroquinazoline-2-carboxylate
    CAS: 1189105-79-0 Formula: C11H8N2O2ClBr Molecular Weight: 315.55
    ● In Stock — US Item #: E357967
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    Technical Identifiers
    IUPAC Name
    ethyl 7-bromo-4-chloroquinazoline-2-carboxylate
    SMILES
    CCOC(=O)C1=NC2=C(C=CC(=C2)Br)C(=N1)Cl
    InChIKey
    WNPLYNAOTKPPLG-UHFFFAOYSA-N
    InChI
    1S/C11H8BrClN2O2/c1-2-17-11(16)10-14-8-5-6(12)3-4-7(8)9(13)15-10/h3-5H,2H2,1H3
    Synonyms
    Ethyl7-bromo-4-chloroquinazoline-2-carboxylate | MFCD12675153 | Ethyl 7-bromo-4-chloroquinazoline-2-carboxylate | DTX...
  7. Ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate
    CAS: 23866-72-0 Formula: C12H10O5 Molecular Weight: 234.21
    ● In Stock — US Item #: E330594
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    Technical Identifiers
    IUPAC Name
    ethyl 7-hydroxy-4-oxochromene-2-carboxylate
    SMILES
    CCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)O
    InChIKey
    RKIMFICEWCXBCE-UHFFFAOYSA-N
    InChI
    1S/C12H10O5/c1-2-16-12(15)11-6-9(14)8-4-3-7(13)5-10(8)17-11/h3-6,13H,2H2,1H3
    Synonyms
    PS-7666 | MFCD00100382 | 1,2,3-Propanetriol trihexadecanoate | ethyl 7-hydroxy-4-oxochromene-2-carboxylate | SR-01000...
  8. Ethyl a-D-glucopyranoside
    CAS: 34625-23-5 Formula: C8H16O6 Molecular Weight: 208.21
    ● In Stock — US Item #: E358698
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    Technical Identifiers
    IUPAC Name
    (3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES
    CCOC1C(C(C(C(O1)CO)O)O)O
    InChIKey
    WYUFTYLVLQZQNH-KEWYIRBNSA-N
    InChI
    1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8?/m1/s1
    Synonyms
    Ethyl D-glucopyranoside; Sucraph AG 6202 | SCHEMBL457136 | EINECS 252-122-0 | W-202319 | Ethyl glucoside | MFCD098384...
  9. RI-1
    CAS: 415713-60-9 PubChem CID: 1074953 Formula: C14H11Cl3N2O3 Molecular Weight: 361.61
    Solid ≥98%
    ● In Stock — US Item #: R125517
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    IUPAC Name
    3-chloro-1-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
    SMILES
    C1COCCN1C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl
    InChIKey
    MWSUIZKGNWELRF-UHFFFAOYSA-N
    InChI
    1S/C14H11Cl3N2O3/c15-9-2-1-8(7-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
    Synonyms
    Q18392915 | HY-15317 | STL503566 | NCGC00371132-01 | RI1 | RI-1 | RI-1 (chemical) | RAD51 inhibitor 1 | UNII-S8WG8ZRQ...
  10. DY 268
    CAS: 1609564-75-1 Formula: C30H32N4O5S Molecular Weight: 560.66
    ● In Stock — US Item #: D288547
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    IUPAC Name
    1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
    SMILES
    CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4)CC5=CC(=CC=C5)OC
    InChIKey
    KQSPAAPFKIEUGH-UHFFFAOYSA-N
    InChI
    1S/C30H32N4O5S/c1-21-7-10-24(11-8-21)29-27(20-33(32-29)19-23-5-4-6-26(17-23)38-3)30(35)31-25-12-9-22(2)28(18-25)40(36,37)34-13-15-39-16-14-34/h4-12,17show more
    Synonyms
    1-[(3-Methoxyphenyl)methyl]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-3-(4-methylphenyl)-1H-pyrazole-4-carboxamide
  11. Methyl cholate
    CAS: 1448-36-8 Formula: C25H42O5 Molecular Weight: 422.61
    ● In Stock — US Item #: M102126
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    Technical Identifiers
    IUPAC Name
    methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]show more
    SMILES
    CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey
    DLYVTEULDNMQAR-SRNOMOOLSA-N
    InChI
    1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,1show more
    Synonyms
    CHEBI:177012 | EINECS 215-903-7 | Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3alpha,5beta,7alpha,12alpha)...
  12. Fmoc-(R)-3-amino-3-(2-chlorophenyl)propionic acid
    CAS: 511272-52-9 PubChem CID: 2761719 Formula: C24H20ClNO4 Molecular Weight: 421.87
    ● In Stock — US Item #: F337984
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    IUPAC Name
    (3R)-3-(2-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
    SMILES
    C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=CC=C4Cl
    InChIKey
    MHQMTMDZWLOODM-JOCHJYFZSA-N
    InChI
    1S/C24H20ClNO4/c25-21-12-6-5-11-19(21)22(13-23(27)28)26-24(29)30-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/tshow more
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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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