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GSK-A1

CAT: 0862-GW0843-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GW0843-1mgSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1416334-69-4
Storage Conditions
+4°C
Hazardous Class
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Chemical Information

5-[2-amino-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
CAS Number1416334-69-4
PubChem CID71116366
IUPAC Name5-[2-amino-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
Molecular FormulaC29H27FN6O4S
Molecular Weight574.6
XLogP4
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity959
SMILES
COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=C(N3C4=CC=C(C=C4)N5CCOCC5)N)S(=O)(=O)NC6=CC=CC=C6F
InChI
InChI=1S/C29H27FN6O4S/c1-39-28-27(41(37,38)34-24-5-3-2-4-23(24)30)17-20(18-32-28)19-6-11-25-26(16-19)36(29(31)33-25)22-9-7-21(8-10-22)35-12-14-40-15-13-35/h2-11,16-18,34H,12-15H2,1H3,(H2,31,33)
InChIKey
AJOGHKUZDLYXKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[2-amino-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
CAS: 1416334-69-4
CID: 71116366
Formula: C29H27FN6O4S
MW: 574.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.6
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass574.17985270
Monoisotopic Mass574.17985270
Topological Polar Surface Area133 Ų
Heavy Atom Count41
Formal Charge0
Complexity959
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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