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Home Other Building Blocks (1-(2-Morpholinoethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

(1-(2-Morpholinoethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

CAS No.:
895155-26-7
Catalog Number:
AG0087HA
Molecular Formula:
C22H30N2O2
Molecular Weight:
354.4858
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$87
- +
25mg
98%(HPLC)
In Stock USA
United States
$155
- +
100mg
98%(HPLC)
In Stock USA
United States
$501
- +
Product Description
Catalog Number:
AG0087HA
Chemical Name:
(1-(2-Morpholinoethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CAS Number:
895155-26-7
Molecular Formula:
C22H30N2O2
Molecular Weight:
354.4858
MDL Number:
MFCD22421643
IUPAC Name:
[1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
InChI:
InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
InChI Key:
ZCFHOMLAFTWDFM-UHFFFAOYSA-N
SMILES:
O=C(C1C(C1(C)C)(C)C)c1cn(c2c1cccc2)CCN1CCOCC1
UNII:
5N69DXA53Z
Properties
Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.231g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.494g/mol
Monoisotopic Mass:
354.231g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Homology modeling in tandem with 3D-QSAR analyses: a computational approach to depict the agonist binding site of the human CB2 receptor. European journal of medicinal chemistry 20110901
Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2. European journal of medicinal chemistry 20110201
Indol-3-ylcycloalkyl ketones: effects of N1 substituted indole side chain variations on CB(2) cannabinoid receptor activity. Journal of medicinal chemistry 20100114
Indol-3-yl-tetramethylcyclopropyl ketones: effects of indole ring substitution on CB2 cannabinoid receptor activity. Journal of medicinal chemistry 20080327
Imine derivatives as new potent and selective CB2 cannabinoid receptor agonists with an analgesic action. Bioorganic & medicinal chemistry 20080201
In vitro and in vivo characterization of A-796260: a selective cannabinoid CB2 receptor agonist exhibiting analgesic activity in rodent pain models. British journal of pharmacology 20080101
Properties