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PI3kδ inhibitor 1

CAT: 0931-T12463-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T12463-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1332075-63-4
Target
PI3K
Related Pathways
PI3K/Akt/mTOR signaling
Bioactivity
PI3kδ inhibitor 1 is a selective inhibitor of PI3Kδ (IC50 of 3.8 nM) .
Smiles
C(C1=NC=2C(=NC(=NC2C=C1)C3=C4C(=CC=C3F)NC=C4)N5CCOCC5)N6CCC(C(C)(C)O)CC6
Molecular Formula
C28H33FN6O2
Molecular Weight
504.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CAS Number1332075-63-4
PubChem CID53378051
IUPAC Name2-[1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
Molecular FormulaC28H33FN6O2
Molecular Weight504.6
XLogP3.1
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity761
SMILES
CC(C)(C1CCN(CC1)CC2=NC3=C(C=C2)N=C(N=C3N4CCOCC4)C5=C(C=CC6=C5C=CN6)F)O
InChI
InChI=1S/C28H33FN6O2/c1-28(2,36)18-8-11-34(12-9-18)17-19-3-5-23-25(31-19)27(35-13-15-37-16-14-35)33-26(32-23)24-20-7-10-30-22(20)6-4-21(24)29/h3-7,10,18,30,36H,8-9,11-17H2,1-2H3
InChIKey
ONEJEIKQLAZPNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CAS: 1332075-63-4
CID: 53378051
Formula: C28H33FN6O2
MW: 504.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.6
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass504.26490248
Monoisotopic Mass504.26490248
Topological Polar Surface Area90.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity761
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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