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Home Other Building Blocks Integrin Antagonist 27

Integrin Antagonist 27

CAS No.:
593274-97-6
Catalog Number:
AG00ECFG
Molecular Formula:
C24H20N4O5
Molecular Weight:
444.4394
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
Product Description
Catalog Number:
AG00ECFG
Chemical Name:
Integrin Antagonist 27
CAS Number:
593274-97-6
Molecular Formula:
C24H20N4O5
Molecular Weight:
444.4394
MDL Number:
MFCD06663195
IUPAC Name:
3-[2-[(Z)-[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
InChI:
InChI=1S/C24H20N4O5/c1-15-7-9-17(10-8-15)25-21(29)14-28-22(30)20(26-24(28)33)13-19-6-3-11-27(19)18-5-2-4-16(12-18)23(31)32/h2-13H,14H2,1H3,(H,25,29)(H,26,33)(H,31,32)/b20-13-
InChI Key:
BJCKKLXERBMNHP-MOSHPQCFSA-N
SMILES:
O=C(CN1C(=O)N/C(=C\c2cccn2c2cccc(c2)C(=O)O)/C1=O)Nc1ccc(cc1)C
Properties
Complexity:
820  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
444.143g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
444.447g/mol
Monoisotopic Mass:
444.143g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ. PloS one 20120101
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