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ASP2905

CAT: 0931-T9070-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9070-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
792184-90-8
Target
Potassium Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9978
Bioactivity
ASP-2905 is a potent and selective inhibitor of potassium channel Kv12.2 encoded by the Kcnh3/BEC1 gene. It can cross the blood-brain barrier and has antipsychotic activities
Smiles
Fc1ccc(Nc2nc(NCc3ncccn3)nc(Nc3ccccc3)n2)cc1
Molecular Formula
C20H17FN8
Molecular Weight
388.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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