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Home Other Building Blocks Compound 401

Compound 401

CAS No.:
168425-64-7
Catalog Number:
AG001Y1Q
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$187
- +
10mg
99%
1 week
United States
$230
- +
25mg
≥98%
1 week
United States
$447
- +
50mg
99%
1 week
United States
$696
- +
100mg
99%
1 week
United States
$1154
- +
Product Description
Catalog Number:
AG001Y1Q
Chemical Name:
Compound 401
CAS Number:
168425-64-7
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
MDL Number:
MFCD10568147
IUPAC Name:
2-morpholin-4-ylpyrimido[2,1-a]isoquinolin-4-one
InChI:
InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
InChI Key:
BVRDQVRQVGRNHG-UHFFFAOYSA-N
SMILES:
O=c1cc(nc2n1ccc1c2cccc1)N1CCOCC1
Properties
Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
DNA-dependent protein kinase (DNA-PK) inhibitors. Synthesis and biological activity of quinolin-4-one and pyridopyrimidin-4-one surrogates for the chromen-4-one chemotype. Journal of medicinal chemistry 20101223
Inhibition of mammalian target of rapamycin signaling by 2-(morpholin-1-yl)pyrimido[2,1-alpha]isoquinolin-4-one. The Journal of biological chemistry 20070817
Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and radiosensitization of a human tumor cell line in vitro. Journal of medicinal chemistry 20050127
Purification and some properties of ATP: arginine phosphotransferase from sea anemones, Condylactis aurantiaca. Comparative biochemistry and physiology. B, Comparative biochemistry 19751215
Properties