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GSK 2193874

CAT: 0926-LDC96013-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-LDC96013-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1336960-13-4
MDL Number
MFCD28009510
Smiles
C1CCN (CC1) C2CCN (CC2) CC3=C (C4=C (C=C (C=C4) Br) N=C3C5=CC (=CC=C5) C (F) (F) F) C (=O) NC6 (CC6) C7=CC=CC=C7
Molecular Formula
C37H38BrF3N4O
Molecular Weight
691.62 g/mol
Controlled
No

Chemical Information

Gsk2193874

GSK2193874 is an organic molecular entity. It has a role as an antagonist.

CAS Number1336960-13-4
PubChem CID53464483
IUPAC Name7-bromo-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
Molecular FormulaC37H38BrF3N4O
Molecular Weight691.6
XLogP7.8
Topological Polar Surface Area48.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count46
Formal Charge0
Complexity1020
SMILES
C1CCN(CC1)C2CCN(CC2)CC3=C(C4=C(C=C(C=C4)Br)N=C3C5=CC(=CC=C5)C(F)(F)F)C(=O)NC6(CC6)C7=CC=CC=C7
InChI
InChI=1S/C37H38BrF3N4O/c38-28-12-13-30-32(23-28)42-34(25-8-7-11-27(22-25)37(39,40)41)31(24-44-20-14-29(15-21-44)45-18-5-2-6-19-45)33(30)35(46)43-36(16-17-36)26-9-3-1-4-10-26/h1,3-4,7-13,22-23,29H,2,5-6,14-21,24H2,(H,43,46)
InChIKey
UIVOZBSCHXCGPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk2193874
CAS: 1336960-13-4
CID: 53464483
Formula: C37H38BrF3N4O
MW: 691.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight691.6
XLogP37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass690.21811
Monoisotopic Mass690.21811
Topological Polar Surface Area48.5 Ų
Heavy Atom Count46
Formal Charge0
Complexity1020
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

CatalogName
B7751-100GSK 2193874
MBS3840247-01GSK-2193874
A14201-50GSK-2193874 50mg
A14201-10GSK-2193874 10mg
A14201-2GSK-2193874 2mg
A14201-100GSK-2193874 100mg
A14201-25GSK-2193874 25mg
A14201-5GSK-2193874 5mg
A14201-1GSK-2193874 1mg
A14201-10mM-DGSK-2193874 10mM * 1mL in DMSO

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