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CZh226

CAT: 0013-GTR19231828Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231828Size:100 mg
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Description
CZh226 hydrochloride (CZh-226) is a potent, selective inhibitor of p21-activated kinase 4 (PAK4) with Ki of 9 nM, displays 346-fold selectivity over PAK-1.
CAS Number
2196199-00-3
Purity
>98%
Smiles
O=C (N1C[C@@H] (C) NCC1) C2=NC3=CC=C (Cl) C=C3C (NC4=NNC (C5CC5) =C4) =N2
Molecular Formula
C20H22ClN7O
Molecular Weight
411.894
Notes
For research use only.

Chemical Information

[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CAS Number2196199-00-3
PubChem CID134817245
IUPAC Name[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
Molecular FormulaC20H22ClN7O
Molecular Weight411.9
XLogP2.8
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity605
SMILES
C[C@H]1CN(CCN1)C(=O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NC4=NNC(=C4)C5CC5
InChI
InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m0/s1
InChIKey
RTGFZUPLFGBDKE-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of [6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CAS: 2196199-00-3
CID: 134817245
Formula: C20H22ClN7O
MW: 411.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight411.9
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass411.1574360
Monoisotopic Mass411.1574360
Topological Polar Surface Area98.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T27115-01CZh226

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