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Home Other Building Blocks Cid24768606 hydrate

Cid24768606 hydrate

CAS No.:
1135243-19-4
Catalog Number:
AG0008W7
Molecular Formula:
C18H20N6O3S2
Molecular Weight:
432.5198
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
≥98%
1 week
United States
$236
- +
50mg
≥98%
1 week
United States
$773
- +
Product Description
Catalog Number:
AG0008W7
Chemical Name:
Cid24768606 hydrate
CAS Number:
1135243-19-4
Molecular Formula:
C18H20N6O3S2
Molecular Weight:
432.5198
MDL Number:
MFCD18086889
IUPAC Name:
N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
InChI:
InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15/h1-5,7-8,20H,6,9-13H2
InChI Key:
WXDHQWPQLKGANZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2
Properties
Complexity:
659  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.104g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
432.517g/mol
Monoisotopic Mass:
432.104g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Development of novel M1 antagonist scaffolds through the continued optimization of the MLPCN probe ML012. Bioorganic & medicinal chemistry letters 20120801
Roles of the M1 muscarinic acetylcholine receptor subtype in the regulation of basal ganglia function and implications for the treatment of Parkinson's disease. The Journal of pharmacology and experimental therapeutics 20120301
A novel selective muscarinic acetylcholine receptor subtype 1 antagonist reduces seizures without impairing hippocampus-dependent learning. Molecular pharmacology 20090801
Discovery and development of a potent and highly selective small molecule muscarinic acetylcholine receptor subtype I (mAChR 1 or M1) antagonist in vitro and in vivo probe. Current topics in medicinal chemistry 20090101
Properties