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K 0859

CAT: 0013-GTR19159283-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159283-02Size:500 mg
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Description
NVP-BGG463 is a novel Type II kinase inhibitor, targeting CDK2.
CAS Number
890129-26-7
Product Name Alternative
NVP-BGG463
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 125 mg/mL; 216.05 mM
Smiles
CC (=O) Nc1cc (ncn1) Oc2ccc3c (c2) cccc3C (=O) Nc5ccc (CN4CCN (C) CC4) c (c5) C (F) (F) F
Molecular Formula
C30H29F3N6O3
Molecular Weight
578.6
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
6- (6-Acetylamino-pyrimidin-4-yloxy) -naphthalene-1-carboxylic acid [4- (4-methyl-piperazin-1-ylmethyl) -3-trifluoromethyl-phenyl]-amide

Chemical Information

6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide
CAS Number890129-26-7
PubChem CID67406169
IUPAC Name6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
Molecular FormulaC30H29F3N6O3
Molecular Weight578.6
XLogP4.2
Topological Polar Surface Area99.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity917
SMILES
CC(=O)NC1=CC(=NC=N1)OC2=CC3=C(C=C2)C(=CC=C3)C(=O)NC4=CC(=C(C=C4)CN5CCN(CC5)C)C(F)(F)F
InChI
InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
InChIKey
MZZJNOOADWVFPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide
CAS: 890129-26-7
CID: 67406169
Formula: C30H29F3N6O3
MW: 578.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.6
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass578.22532329
Monoisotopic Mass578.22532329
Topological Polar Surface Area99.7 Ų
Heavy Atom Count42
Formal Charge0
Complexity917
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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