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Home Other Building Blocks 4-OXO-3,3-DIPHENYL-[1,2]DIAZETIDINE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER

4-OXO-3,3-DIPHENYL-[1,2]DIAZETIDINE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER

CAS No.:
1073529-41-5
Catalog Number:
AG01DU3I
Molecular Formula:
C17H20N2O5
Molecular Weight:
332.3511
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$462
- +
250mg
95%
In Stock USA
United States
$840
- +
Product Description
Catalog Number:
AG01DU3I
Chemical Name:
4-OXO-3,3-DIPHENYL-[1,2]DIAZETIDINE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER
CAS Number:
1073529-41-5
Molecular Formula:
C17H20N2O5
Molecular Weight:
332.3511
MDL Number:
MFCD28053514
IUPAC Name:
dimethyl (3R)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylate
InChI:
InChI=1S/C17H20N2O5/c1-23-15(21)18-14(20)17(13-10-6-7-11-13,19(18)16(22)24-2)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3/t17-/m0/s1
InChI Key:
ZRHWCAFAIHTQKD-KRWDZBQOSA-N
SMILES:
COC(=O)N1N(C(=O)OC)C(=O)[C@@]1(C1CCCC1)c1ccccc1
Properties
Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
332.137g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.356g/mol
Monoisotopic Mass:
332.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
A high-throughput, multiplexed assay for superfamily-wide profiling of enzyme activity. Nature chemical biology 20140801
Discovery and optimization of sulfonyl acrylonitriles as selective, covalent inhibitors of protein phosphatase methylesterase-1. Journal of medicinal chemistry 20110728
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties