Home Other Building Blocks Sj-172550

Sj-172550

CAS No.:
431979-47-4
Catalog Number:
AG00DB7H
Molecular Formula:
C22H21ClN2O5
Molecular Weight:
428.8655
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$108
- +
5mg
≥98%
1 week
United States
$198
- +
10mg
98%
1 week
United States
$240
- +
50mg
98%
1 week
United States
$807
- +
Product Description
Catalog Number:
AG00DB7H
Chemical Name:
Sj-172550
CAS Number:
431979-47-4
Molecular Formula:
C22H21ClN2O5
Molecular Weight:
428.8655
MDL Number:
MFCD03142926
IUPAC Name:
methyl 2-[2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate
InChI:
InChI=1S/C22H21ClN2O5/c1-4-29-19-12-15(11-18(23)21(19)30-13-20(26)28-3)10-17-14(2)24-25(22(17)27)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3/b17-10+
InChI Key:
RKKFQJXGAQWHBZ-LICLKQGHSA-N
SMILES:
CCOc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OCC(=O)OC)Cl
Properties
Complexity:
689  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
428.114g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.869g/mol
Monoisotopic Mass:
428.114g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
On the mechanism of action of SJ-172550 in inhibiting the interaction of MDM4 and p53. PloS one 20120101
Properties