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AMG1

CAT: 1410-M16497-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M16497-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A novel specific CRAC channel inhibitor that blocks function of effector.
CAS Number
903591-53-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
413.732
Molecular Formula
C18H9ClF5N3O
Notes
Research use only, not for human use.
Receptor
Calcium Channel

Chemical Information

N-{5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl}-2,6-difluorobenzamide
CAS Number903591-53-7
PubChem CID11546102
IUPAC NameN-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide
Molecular FormulaC18H9ClF5N3O
Molecular Weight413.7
XLogP4.3
Topological Polar Surface Area54.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity542
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC2=NC=C(N=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl)F
InChI
InChI=1S/C18H9ClF5N3O/c19-11-5-4-9(18(22,23)24)6-10(11)14-7-26-15(8-25-14)27-17(28)16-12(20)2-1-3-13(16)21/h1-8H,(H,26,27,28)
InChIKey
LWJKSVUJZBEXCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-{5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl}-2,6-difluorobenzamide
CAS: 903591-53-7
CID: 11546102
Formula: C18H9ClF5N3O
MW: 413.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.7
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass413.0354304
Monoisotopic Mass413.0354304
Topological Polar Surface Area54.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity542
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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