AZD2098   

GtoPdb Ligand ID: 9678

Synonyms: AZD-2098 | compound 47 [PMID: 28947948]
Compound class: Synthetic organic
Comment: AZD2098 is a potent and bioavailable aminopyrazine sulfonamide CCR4 receptor antagonist discovered in a high-throughput screening/synthesis campaign [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 89.56
Molecular weight 332.97
XLogP 2.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1nccnc1NS(=O)(=O)c1cccc(c1Cl)Cl
Isomeric SMILES COc1nccnc1NS(=O)(=O)c1cccc(c1Cl)Cl
InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
InChI Key FLSMVCMSUNISFK-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
Synonyms
AZD-2098 | compound 47 [PMID: 28947948]
Database Links
GtoPdb PubChem SID 348353637
PubChem CID 10308720
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Tocris
AZD 2098
Cat. No. 6541