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CB2 modulator 1

CAT: 1410-M26092-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M26092-04Size:25 mg
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Description
CB2 modulator 1 is a potent CB2 modulator. It can be used for the research for immune disorders, osteoporosis, inflammation, renal ischemia.
CAS Number
666261-80-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
380.371
Molecular Formula
C18H19F3N4O2
Notes
Research use only, not for human use.
Receptor
S1P

Chemical Information

CB2 modulator 1
CAS Number666261-80-9
PubChem CID59191135
IUPAC Name2-anilino-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Molecular FormulaC18H19F3N4O2
Molecular Weight380.4
XLogP2.9
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity480
SMILES
C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC=CC=C3
InChI
InChI=1S/C18H19F3N4O2/c19-18(20,21)15-14(16(26)22-10-12-6-8-27-9-7-12)11-23-17(25-15)24-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2,(H,22,26)(H,23,24,25)
InChIKey
CPVZTXHTOZWAMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CB2 modulator 1
CAS: 666261-80-9
CID: 59191135
Formula: C18H19F3N4O2
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass380.14601035
Monoisotopic Mass380.14601035
Topological Polar Surface Area76.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity480
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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