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Home Carbonyls 4-Methoxy-7-morpholino-2-[(4-hydroxy-4-methylpiperidino)carbonylamino]benzothiazole

4-Methoxy-7-morpholino-2-[(4-hydroxy-4-methylpiperidino)carbonylamino]benzothiazole

CAS No.:
870070-55-6
Catalog Number:
AG004GR6
Molecular Formula:
C19H26N4O4S
Molecular Weight:
406.4991
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$150
- +
1g
95%
In Stock USA
United States
$375
- +
5g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG004GR6
Chemical Name:
4-Methoxy-7-morpholino-2-[(4-hydroxy-4-methylpiperidino)carbonylamino]benzothiazole
CAS Number:
870070-55-6
Molecular Formula:
C19H26N4O4S
Molecular Weight:
406.4991
MDL Number:
MFCD21642026
IUPAC Name:
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide
InChI:
InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
InChI Key:
XNBRWUQWSKXMPW-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1
UNII:
D9K857J81I
Properties
Complexity:
554  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.167g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
406.501g/mol
Monoisotopic Mass:
406.167g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Tozadenant (SYN115) in patients with Parkinson's disease who have motor fluctuations on levodopa: a phase 2b, double-blind, randomised trial. The Lancet. Neurology 20140801
Adenosine A2A receptor as a drug discovery target. Journal of medicinal chemistry 20140508
Quantification of indirect pathway inhibition by the adenosine A2a antagonist SYN115 in Parkinson disease. The Journal of neuroscience : the official journal of the Society for Neuroscience 20101201
Properties