Home Other Building Blocks NS-018 hydrochloride

NS-018 hydrochloride

CAS No.:
1239358-85-0
Catalog Number:
AG009CL3
Molecular Formula:
C21H21ClFN7
Molecular Weight:
425.8897
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$453
- +
10mg
98%
1 week
United States
$605
- +
25mg
98%
1 week
United States
$862
- +
50mg
98%
1 week
United States
$1265
- +
100mg
98%
1 week
United States
$1793
- +
Product Description
Catalog Number:
AG009CL3
Chemical Name:
NS-018 hydrochloride
CAS Number:
1239358-85-0
Molecular Formula:
C21H21ClFN7
Molecular Weight:
425.8897
MDL Number:
MFCD29472295
IUPAC Name:
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine;hydrochloride
InChI:
InChI=1S/C21H20FN7.ClH/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21;/h3-14H,1-2H3,(H2,24,26,27,28);1H/t14-;/m0./s1
InChI Key:
XFNVGPXGVAXXSH-UQKRIMTDSA-N
SMILES:
Fc1ccc(cc1)[C@@H](Nc1nc(Nc2cnccn2)cc(c1)c1cnn(c1)C)C.Cl
Properties
Complexity:
501  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
425.153g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
425.896g/mol
Monoisotopic Mass:
425.153g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties