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GZD856

CAT: 0013-GTR19205678-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205678-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GZD856
CAS Number
1257628-64-0
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Smiles
C (C1=C (C (F) (F) F) C=C (NC (=O) C2=CC (C#CC3=CN4C (N=C3) =CC=N4) =C (C) C=C2) C=C1) N5CCN (C) CC5
Molecular Formula
C29H27F3N6O
Molecular Weight
532.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CAS Number1257628-64-0
PubChem CID51037822
IUPAC Name4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
Molecular FormulaC29H27F3N6O
Molecular Weight532.6
XLogP4.1
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity910
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN5C(=CC=N5)N=C4
InChI
InChI=1S/C29H27F3N6O/c1-20-3-5-23(15-22(20)6-4-21-17-33-27-9-10-34-38(27)18-21)28(39)35-25-8-7-24(26(16-25)29(30,31)32)19-37-13-11-36(2)12-14-37/h3,5,7-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
InChIKey
FSLXBWOKEGSUPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CAS: 1257628-64-0
CID: 51037822
Formula: C29H27F3N6O
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass532.21984399
Monoisotopic Mass532.21984399
Topological Polar Surface Area65.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity910
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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