GSK2245035

CAT: 0607-BA3541-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3541-10Size:10 mg

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

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CAS Number

1207629-49-9

Form

A solid

Molecular Formula

C20H34N6O2

Molecular Weight

390.52

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Gsk-2245035

GSK2245035 is under investigation in clinical trial NCT02833974 (Effect of the GSK2245035 on the Allergen-induced Asthmatic Response).

CAS Number	1207629-49-9
PubChem CID	44623937
IUPAC Name	6-amino-2-[(2S)-pentan-2-yl]oxy-9-(5-piperidin-1-ylpentyl)-7H-purin-8-one
Molecular Formula	C20H34N6O2
Molecular Weight	390.5
XLogP	3
Topological Polar Surface Area	96.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	28
Formal Charge	0
Complexity	487

SMILES

CCC[C@H](C)OC1=NC(=C2C(=N1)N(C(=O)N2)CCCCCN3CCCCC3)N

InChI

InChI=1S/C20H34N6O2/c1-3-10-15(2)28-19-23-17(21)16-18(24-19)26(20(27)22-16)14-9-5-8-13-25-11-6-4-7-12-25/h15H,3-14H2,1-2H3,(H,22,27)(H2,21,23,24)/t15-/m0/s1

InChIKey

LFMPVTVPXHNXOT-HNNXBMFYSA-N

Chemical Structure

2D Structure

CAS: 1207629-49-9

CID: 44623937

Formula: C20H34N6O2

MW: 390.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	390.5
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	390.27432435
Monoisotopic Mass	390.27432435
Topological Polar Surface Area	96.6 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
522629	GSK2245035
HY-118250A	GSK2245035 (maleate)

GSK2245035

Chemical Information

Alternative Products

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