PI3Kα-IN-9

CAT: 0607-BA3043-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3043-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2715287-67-3

Form

A solid

Molecular Formula

C18H21N7O3

Molecular Weight

383.40

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

PI3Kalpha-IN-9

CAS Number	2715287-67-3
PubChem CID	164886635
IUPAC Name	5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-benzoxazol-2-amine
Molecular Formula	C18H21N7O3
Molecular Weight	383.4
XLogP	1.3
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	491

SMILES

C1COCCN1C2=NC(=NC(=N2)C3=CC4=C(C=C3)OC(=N4)N)N5CCOCC5

InChI

InChI=1S/C18H21N7O3/c19-16-20-13-11-12(1-2-14(13)28-16)15-21-17(24-3-7-26-8-4-24)23-18(22-15)25-5-9-27-10-6-25/h1-2,11H,3-10H2,(H2,19,20)

InChIKey

LOQNSAZUXOBMAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2715287-67-3

CID: 164886635

Formula: C18H21N7O3

MW: 383.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.4
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	383.17058756
Monoisotopic Mass	383.17058756
Topological Polar Surface Area	116 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	491
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes