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Chemical structure of CGS 9343B

GC16911

CGS 9343B

Also known as (Z)-but-2-enedioic acid;3-[1-[(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

CGS 9343B (CGS-9343B) is a potent, orally active and selective inhibitor of calmodulin

ChemicalCAS109826-27-9MW544.61FormulaC26H28N4O2·C4H4O4
CAS number
109826-27-9
Molecular weight
544.61
Formula
C26H28N4O2·C4H4O4
Solubility
<27·23mg/ml in DMSO; <5·45mg/ml in ethanol
InChIKey
NGODOSILXOFQPH-BTJKTKAUSA-N
Catalogue number
GC16911
Brand
GLPBIO
Computed properties PubChem CID 6450522 · TPSA 124 Ų · H-bond donors 3 · H-bond acceptors 7
TPSA
124 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
40

SMILES CC1(C2=CC=CN2C3=CC=CC=C3CO1)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O.C(=C\C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 6450522), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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