Home Other Building Blocks RIP2 kinase inhibitor 1

RIP2 kinase inhibitor 1

CAS No.:
1423186-80-4
Catalog Number:
AG009CNP
Molecular Formula:
C21H22N4O4S2
Molecular Weight:
458.5538
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$290
- +
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG009CNP
Chemical Name:
RIP2 kinase inhibitor 1
CAS Number:
1423186-80-4
Molecular Formula:
C21H22N4O4S2
Molecular Weight:
458.5538
MDL Number:
MFCD30489727
IUPAC Name:
2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethanol
InChI:
InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)
InChI Key:
UHDOJINBFLDQJM-UHFFFAOYSA-N
SMILES:
OCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1ccc2c(c1)ncs2
Properties
Complexity:
711  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.108g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
458.551g/mol
Monoisotopic Mass:
458.108g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties