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PI-3065

CAT: 0013-GTR19160656-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160656-06Size:50 mg
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Description
A potent inhibitor of PI3K p110δ with IC50/Ki values of 5/1.5 nM respectively; exhibits less potent activity against p110α, p110β, p110γ with IC50s of 910, 600, >10000 nM.
CAS Number
955977-50-1
Product Name Alternative
PI3065 | PI 3065
Purity
>98% (HPLC)
Solubility
DMSO
Smiles
FC1=C (C2=NC (N3CCOCC3) =C4C (C=C (CN5CCN (CC6CC6) CC5) S4) =N2) C7=C (NC=C7) C=C1
Molecular Formula
C27H31FN6OS
Molecular Weight
506.638
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Thieno[3,2-d]pyrimidine, 6-[[4- (cyclopropylmethyl) -1-piperazinyl]methyl]-2- (5-fluoro-1H-indol-4-yl) -4- (4-morpholinyl) -

Chemical Information

PI-3065
CAS Number955977-50-1
PubChem CID24937012
IUPAC Name4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
Molecular FormulaC27H31FN6OS
Molecular Weight506.6
XLogP3.7
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity748
SMILES
C1CC1CN2CCN(CC2)CC3=CC4=C(S3)C(=NC(=N4)C5=C(C=CC6=C5C=CN6)F)N7CCOCC7
InChI
InChI=1S/C27H31FN6OS/c28-21-3-4-22-20(5-6-29-22)24(21)26-30-23-15-19(17-33-9-7-32(8-10-33)16-18-1-2-18)36-25(23)27(31-26)34-11-13-35-14-12-34/h3-6,15,18,29H,1-2,7-14,16-17H2
InChIKey
YDNOHCOYQVZOMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PI-3065
CAS: 955977-50-1
CID: 24937012
Formula: C27H31FN6OS
MW: 506.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.6
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass506.22640897
Monoisotopic Mass506.22640897
Topological Polar Surface Area88.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity748
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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