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MrgprX2 antagonist-8

CAT: 1410-M35746-01Size: 1 EachDry Ice: NoHazardous: No
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Description
MrgprX2 antagonist-8 is an MrgprX2 antagonist that can be used to study inflammatory diseases.
CAS Number
2768216-96-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
540.99
Molecular Formula
C24H24ClF3N4O3S
Notes
Research use only, not for human use.
Receptor
MRGPR

Chemical Information

MrgprX2 antagonist-8
CAS Number2768216-96-0
PubChem CID163267276
IUPAC NameN-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(methanesulfonamido)benzamide
Molecular FormulaC24H24ClF3N4O3S
Molecular Weight541.0
XLogP5
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity864
SMILES
CS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC2CCC(CC2)NC3=CC(=NC4=C3C=C(C=C4)Cl)C(F)(F)F
InChI
InChI=1S/C24H24ClF3N4O3S/c1-36(34,35)32-18-4-2-3-14(11-18)23(33)30-17-8-6-16(7-9-17)29-21-13-22(24(26,27)28)31-20-10-5-15(25)12-19(20)21/h2-5,10-13,16-17,32H,6-9H2,1H3,(H,29,31)(H,30,33)
InChIKey
OYVIDGWBLJUXIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MrgprX2 antagonist-8
CAS: 2768216-96-0
CID: 163267276
Formula: C24H24ClF3N4O3S
MW: 541.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.0
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass540.1209740
Monoisotopic Mass540.1209740
Topological Polar Surface Area109 Ų
Heavy Atom Count36
Formal Charge0
Complexity864
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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