GSK840

CAT: 0607-BA3494-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3494-25Size:25 mg

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

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CAS Number

2361146-30-5

Form

A solid

Molecular Formula

C21H23N3O3

Molecular Weight

365.43

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

tert-butyl 2-(4-(5-(methylcarbamoyl)-1H-benzo[d]imidazol-1-yl)phenyl)acetate

CAS Number	2361146-30-5
PubChem CID	138377545
IUPAC Name	tert-butyl 2-[4-[5-(methylcarbamoyl)benzimidazol-1-yl]phenyl]acetate
Molecular Formula	C21H23N3O3
Molecular Weight	365.4
XLogP	3.1
Topological Polar Surface Area	73.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	537

SMILES

CC(C)(C)OC(=O)CC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NC

InChI

InChI=1S/C21H23N3O3/c1-21(2,3)27-19(25)11-14-5-8-16(9-6-14)24-13-23-17-12-15(20(26)22-4)7-10-18(17)24/h5-10,12-13H,11H2,1-4H3,(H,22,26)

InChIKey

UGTLDBJIOSYXRR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2361146-30-5

CID: 138377545

Formula: C21H23N3O3

MW: 365.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	365.4
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	365.17394160
Monoisotopic Mass	365.17394160
Topological Polar Surface Area	73.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	537
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

Catalog	Name
HY-104021-01	GSK840