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ASP 2905

CAT: 1410-M15973-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M15973-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A novel potent, selective, orally bioavailable inhibitor of voltage-gated potassium channel KCNH3 with IC50 of 9.0 nM.
CAS Number
792184-90-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
388.41
Molecular Formula
C20H17FN8
Notes
Research use only, not for human use.
Receptor
Potassium Channel

Chemical Information

N2-(4-fluorophenyl)-N4-phenyl-N6-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CAS Number792184-90-8
PubChem CID46913817
IUPAC Name2-N-(4-fluorophenyl)-4-N-phenyl-6-N-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
Molecular FormulaC20H17FN8
Molecular Weight388.4
XLogP4
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity463
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCC3=NC=CC=N3)NC4=CC=C(C=C4)F
InChI
InChI=1S/C20H17FN8/c21-14-7-9-16(10-8-14)26-20-28-18(24-13-17-22-11-4-12-23-17)27-19(29-20)25-15-5-2-1-3-6-15/h1-12H,13H2,(H3,24,25,26,27,28,29)
InChIKey
APYUZVKHUKMAIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N2-(4-fluorophenyl)-N4-phenyl-N6-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CAS: 792184-90-8
CID: 46913817
Formula: C20H17FN8
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass388.15602074
Monoisotopic Mass388.15602074
Topological Polar Surface Area101 Ų
Heavy Atom Count29
Formal Charge0
Complexity463
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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