Products for Research Use Only
RegisterLogin

BGG463

CAT: 0127-BUP04329-04Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP04329-04Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
890129-26-7
Synonyms
K 0859
Purity
=95%
Smiles
CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1

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

Alternative Products

CatalogName
GW1189-5mgBGG463
A20420-100BGG463 100mg
A20420-1BGG463 1mg
A20420-25BGG463 25mg
A20420-10BGG463 10mg
A20420-2BGG463 2mg
A20420-50BGG463 50mg
A20420-5BGG463 5mg
A20420-10mM-DBGG463 10mM * 1mL in DMSO

Popular Products