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Vps34-IN-4

CAT: 0607-BA3668-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3668-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1383716-46-8
Form
A solid
Molecular Formula
C21H25N7O
Molecular Weight
391.47
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

VPS34 inhibitor 1
CAS Number1383716-46-8
PubChem CID67983918
IUPAC Name1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
Molecular FormulaC21H25N7O
Molecular Weight391.5
XLogP2.6
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity509
SMILES
CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O
InChI
InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
InChIKey
XJTIGGCBXFIZJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VPS34 inhibitor 1
CAS: 1383716-46-8
CID: 67983918
Formula: C21H25N7O
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass391.21205845
Monoisotopic Mass391.21205845
Topological Polar Surface Area109 Ų
Heavy Atom Count29
Formal Charge0
Complexity509
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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