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GNF 2

CAT: 0607-A8603-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A8603-50Size:50 mg
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Description
Bcr-Abl inhibitor
CAS Number
778270-11-4
Product Name Alternative
3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
Field of Research
TGF-β Smad Signaling Bcr-Abl Tyrosine Kinase Bcr-Abl
Purity
0.9927
Form
A solid
Solubility
insoluble in H2O; ≥18.7 mg/mL in DMSO; ≥9.8 mg/mL in EtOH with gentle warming
Smiles
C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F
Molecular Formula
C18H13F3N4O2
Molecular Weight
374.32
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Gnf-2

3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide is a member of pyrimidines.

CAS Number778270-11-4
PubChem CID5311510
IUPAC Name3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
Molecular FormulaC18H13F3N4O2
Molecular Weight374.3
XLogP3.8
Topological Polar Surface Area90.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity497
SMILES
C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
InChIKey
WEVYNIUIFUYDGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gnf-2
CAS: 778270-11-4
CID: 5311510
Formula: C18H13F3N4O2
MW: 374.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.3
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass374.09906016
Monoisotopic Mass374.09906016
Topological Polar Surface Area90.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity497
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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