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PF-5006739

CAT: 0607-BA3736-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3736-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1293395-67-1
Form
A solid
Molecular Formula
C22H22FN7O
Molecular Weight
419.45
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

4-(4-(4-fluorophenyl)-1-(1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine

inhibits both casein kinase 1delta and 1epsilon; structure in first source

CAS Number1293395-67-1
PubChem CID51353555
IUPAC Name4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyrimidin-2-amine
Molecular FormulaC22H22FN7O
Molecular Weight419.5
XLogP1.9
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity570
SMILES
C1CN(CCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F)CC5=NOC=C5
InChI
InChI=1S/C22H22FN7O/c23-16-3-1-15(2-4-16)20-21(19-5-9-25-22(24)27-19)30(14-26-20)18-6-10-29(11-7-18)13-17-8-12-31-28-17/h1-5,8-9,12,14,18H,6-7,10-11,13H2,(H2,24,25,27)
InChIKey
XPWHRQHBPRSUAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(4-fluorophenyl)-1-(1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine
CAS: 1293395-67-1
CID: 51353555
Formula: C22H22FN7O
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass419.18698651
Monoisotopic Mass419.18698651
Topological Polar Surface Area98.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity570
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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