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M2I-1

CAS No.:
312271-03-7
Catalog Number:
AG00BF7M
Molecular Formula:
C19H24N4O4S
Molecular Weight:
404.4833
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$135
- +
10mg
≥98%
1 week
United States
$179
- +
25mg
≥98%
1 week
United States
$318
- +
Product Description
Catalog Number:
AG00BF7M
Chemical Name:
M2I-1
CAS Number:
312271-03-7
Molecular Formula:
C19H24N4O4S
Molecular Weight:
404.4833
MDL Number:
MFCD00469459
IUPAC Name:
5-[[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C19H24N4O4S/c1-11(2)9-22(10-12(3)4)15-6-5-13(8-16(15)23(26)27)7-14-17(24)20-19(28)21-18(14)25/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,24,25,28)
InChI Key:
BWEKPQUKWLNUKX-UHFFFAOYSA-N
SMILES:
CC(CN(c1ccc(cc1[N+](=O)[O-])C=C1C(=O)NC(=S)NC1=O)CC(C)C)C
Properties
Complexity:
639  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.152g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
404.485g/mol
Monoisotopic Mass:
404.152g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
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