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. 7-Phenyl acetamido-3-hydroxy-3-cephem-4-carboxylic acid diphenylmethyl ester
    CAS: 54639-48-4 PubChem CID: 54721268 Formula: C28H24N2O5S Molecular Weight: 500.58
    ● In Stock — US warehouse, ships to EU* Item #: P334763
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    Technical Identifiers
    IUPAC Name
    benzhydryl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    SMILES
    C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)O
    InChIKey
    HJINVAQLVZRFTL-YIXXDRMTSA-N
    InChI
    1S/C28H24N2O5S/c31-21-17-36-27-23(29-22(32)16-18-10-4-1-5-11-18)26(33)30(27)24(21)28(34)35-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23,25,27,31H,1show more
    Synonyms
    Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | EC 6...
  2. 7-Morpholin-4-yl-benzo[1,2,5]oxadiazol-4-ylamine
    CAS: 842964-18-5 EC Number: 830-817-5 Formula: C10H12N4O2 Molecular Weight: 220.23
    ◐ .Made to order · 8–12 wks Item #: M339637
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    IUPAC Name
    4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine
    SMILES
    C1COCCN1C2=CC=C(C3=NON=C23)N
    InChIKey
    LWCSTSZSZFUHAT-UHFFFAOYSA-N
    InChI
    1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2
    Synonyms
    cid_1095027 | HMS2693M07 | HMS1695O03 | 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine | SR-01000324641-1 | SR-01000324...
  3. 7-[(5-Hydroxy-pyridine-3-carbonyl)-amino]-heptanoic acid
    CAS: 325970-23-8 Formula: C13H18N2O4 Molecular Weight: 266.3
    ◐ .Made to order · 8–12 wks Item #: H336377
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    IUPAC Name
    7-[(5-hydroxypyridine-3-carbonyl)amino]heptanoic acid
    SMILES
    C1=C(C=NC=C1O)C(=O)NCCCCCCC(=O)O
    InChIKey
    LVCBUOAQGBKVRR-UHFFFAOYSA-N
    InChI
    1S/C13H18N2O4/c16-11-7-10(8-14-9-11)13(19)15-6-4-2-1-3-5-12(17)18/h7-9,16H,1-6H2,(H,15,19)(H,17,18)
    Synonyms
    7-[(5-hydroxy-pyridine-3-carbonyl)-amino]heptanoic acid | 7-[(5-Hydroxy-pyridine-3-carbonyl)-amino]-heptanoic acid | ...
  4. 7-Methyl-8-quinolinamine
    CAS: 5470-82-6 Formula: C10H10N2 Molecular Weight: 158.2
    ● In Stock — US warehouse, ships to EU* Item #: M338712
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    Technical Identifiers
    IUPAC Name
    7-methylquinolin-8-amine
    SMILES
    CC1=C(C2=C(C=CC=N2)C=C1)N
    InChIKey
    LOVKAXWPSDVFJO-UHFFFAOYSA-N
    InChI
    1S/C10H10N2/c1-7-4-5-8-3-2-6-12-10(8)9(7)11/h2-6H,11H2,1H3
    Synonyms
    8-Quinolinamine, 7-methyl- | SB67574 | DTXSID40282787 | NSC-27989 | 4P-105 | 7-methyl-8-aminoquinoline | SCHEMBL44738...
  5. 7-Nitroindole-2-carboxylic acid
    CAS: 6960-45-8 EC Number: 230-154-6 Formula: C9H6N2O4 Molecular Weight: 206.16
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: N425572
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    IUPAC Name
    7-nitro-1H-indole-2-carboxylic acid
    SMILES
    C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O
    InChIKey
    BIUCOFQROHIAEO-UHFFFAOYSA-N
    InChI
    1S/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)
    Synonyms
    CRT0044876, >=98% (HPLC) | 7-Nitro-1H-indole-2-carboxylic acid | BDBM50030281 | 7-Nitroindole-2-carboxylic acid | CCG...
  6. 7-chloro-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
    CAS: 60811-39-4 Formula: C11H9ClN2O Molecular Weight: 220.65
    ● In Stock — US warehouse, ships to EU* Item #: C337572
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    IUPAC Name
    7-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
    SMILES
    C1CC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C1
    InChIKey
    HGYQPVBFNWJTIW-UHFFFAOYSA-N
    InChI
    1S/C11H9ClN2O/c12-7-3-4-9-8(6-7)11(15)14-5-1-2-10(14)13-9/h3-4,6H,1-2,5H2
    Synonyms
    AKOS027327627 | MFCD02358897 | DTXSID80368519 | EN300-06851 | AB00575584 | WAY-619283 | HMS1756H22 | 7-chloro-2,3-dih...
  7. 7-chloro-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
    CAS: 60811-39-4 Formula: C11H9ClN2O Molecular Weight: 220.65
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C425037
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    Technical Identifiers
    IUPAC Name
    7-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
    SMILES
    C1CC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C1
    InChIKey
    HGYQPVBFNWJTIW-UHFFFAOYSA-N
    InChI
    1S/C11H9ClN2O/c12-7-3-4-9-8(6-7)11(15)14-5-1-2-10(14)13-9/h3-4,6H,1-2,5H2
    Synonyms
    AKOS027327627 | MFCD02358897 | DTXSID80368519 | EN300-06851 | AB00575584 | WAY-619283 | HMS1756H22 | 7-chloro-2,3-dih...
  8. 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid
    CAS: 37509-14-1 EC Number: 987-995-3 Formula: C14H12BrNO2 Molecular Weight: 306.159
    ● In Stock — US warehouse, ships to EU* Item #: B338099
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    Technical Identifiers
    IUPAC Name
    7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid
    SMILES
    C1CCC2=NC3=C(C=C(C=C3)Br)C(=C2C1)C(=O)O
    InChIKey
    INXRKMNRRUIKBF-UHFFFAOYSA-N
    InChI
    1S/C14H12BrNO2/c15-8-5-6-12-10(7-8)13(14(17)18)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H,17,18)
    Synonyms
    7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid | 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid | ChemDi...
  9. 7-Hydroxy-4,8-dimethyl-2H-chromen-2-one
    CAS: 4115-76-8 Formula: C11H10O3 Molecular Weight: 190.2
    Solid ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: H338720
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    Technical Identifiers
    IUPAC Name
    7-hydroxy-4,8-dimethylchromen-2-one
    SMILES
    CC1=CC(=O)OC2=C1C=CC(=C2C)O
    InChIKey
    MVMMGVPSTRNMSV-UHFFFAOYSA-N
    InChI
    1S/C11H10O3/c1-6-5-10(13)14-11-7(2)9(12)4-3-8(6)11/h3-5,12H,1-2H3
    Synonyms
    EN300-10380 | MFCD00024084 | 2H-1-Benzopyran-2-one, 7-hydroxy-3,8-dimethyl- | BDBM50246121 | CCG-536 | EU-0045738 | D...
  10. 7-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
    CAS: 24415-66-5 EC Number: 683-781-6 Formula: C6H5ClN4 Molecular Weight: 168.59
    Solid ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: C338387
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    Technical Identifiers
    IUPAC Name
    7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
    SMILES
    CC1=NC2=NC=NN2C(=C1)Cl
    InChIKey
    NOIPEBKPGPZXNR-UHFFFAOYSA-N
    InChI
    1S/C6H5ClN4/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,1H3
    Synonyms
    5-methyl-7-chloro-1,2,4-triazolo[ 1,5-a]pyrimidine | AB04989 | BDBM50356934 | 7-CHLORO-5-METHYL-1,2,4-TRIAZOLE[1,5-A]...
  11. 7-hydroxy-1,2-dihydroquinolin-2-one
    CAS: 70500-72-0 Formula: C9H7NO2 Molecular Weight: 161.16
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: H425609
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    Technical Identifiers
    IUPAC Name
    7-hydroxy-1H-quinolin-2-one
    SMILES
    C1=CC(=CC2=C1C=CC(=O)N2)O
    InChIKey
    DBSPUDKBNOZFMX-UHFFFAOYSA-N
    InChI
    1S/C9H7NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1-5,11H,(H,10,12)
    Synonyms
    7-Hydroxy-2-quinolinone | s3936 | SCHEMBL252706 | 3B25C3NP9L | CHEBI:48987 | FD7357 | Q27121423 | A836903 | 7-HYDROXY...
  12. 7ACC2, Inhibitor of Monocarboxylate transporter 2
    CAS: 1472624-85-3 Formula: C18H15NO4 Molecular Weight: 309.32
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A421716
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    IUPAC Name
    7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid
    SMILES
    CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)O
    InChIKey
    XTKDQPFUOFAMRL-UHFFFAOYSA-N
    InChI
    1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
    Synonyms
    7-(benzyl(methyl)amino)-2-oxo-2H-chromene-3-carboxylic acid;7-[Benzyl(methyl)amino]-2-oxo-2H-chromene-3-carboxylic acid...
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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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