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PI5P4Ks-IN-1

CAT: 0931-T60982-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60982-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
959560-36-2
Target
Others, PI3K
Related Pathways
PI3K/Akt/mTOR signaling, Others
Bioactivity
PI5P4Ks-IN-1 (compound 7) is an active compound that interacts with PI5P4Kγ[1].
Smiles
N(CC1=CC=CS1)C=2C3=C(N=C(N2)C4=C(C)C=CC=C4)C=CC=C3
Molecular Formula
C20H17N3S
Molecular Weight
331.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PI5P4Ks-IN-1
CAS Number959560-36-2
PubChem CID3234199
IUPAC Name2-(2-methylphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
Molecular FormulaC20H17N3S
Molecular Weight331.4
XLogP5.1
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity404
SMILES
CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4
InChI
InChI=1S/C20H17N3S/c1-14-7-2-3-9-16(14)20-22-18-11-5-4-10-17(18)19(23-20)21-13-15-8-6-12-24-15/h2-12H,13H2,1H3,(H,21,22,23)
InChIKey
SZOWAIVUSZXVEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PI5P4Ks-IN-1
CAS: 959560-36-2
CID: 3234199
Formula: C20H17N3S
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass331.11431873
Monoisotopic Mass331.11431873
Topological Polar Surface Area66.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity404
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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Alternative Products

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MBS5803695PI5P4Ks-IN-1
HY-153529PI5P4Ks-IN-3
M36403-01PI5P4Ks-IN-2
OF59775-011,1,1,1,1-Kestoheptaose
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1120401,1,1,1-Kestohexose

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