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ML228

CAS No.:
1357171-62-0
Catalog Number:
AG009CJ7
Molecular Formula:
C27H21N5
Molecular Weight:
415.4891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$91
- +
5mg
≥95%
1 week
United States
$204
- +
10mg
≥95%
1 week
United States
$318
- +
50mg
≥95%
1 week
United States
$1186
- +
100mg
98%
1 week
United States
$1923
- +
Product Description
Catalog Number:
AG009CJ7
Chemical Name:
ML228
CAS Number:
1357171-62-0
Molecular Formula:
C27H21N5
Molecular Weight:
415.4891
MDL Number:
MFCD26792570
IUPAC Name:
6-phenyl-N-[(4-phenylphenyl)methyl]-3-pyridin-2-yl-1,2,4-triazin-5-amine
InChI:
InChI=1S/C27H21N5/c1-3-9-21(10-4-1)22-16-14-20(15-17-22)19-29-27-25(23-11-5-2-6-12-23)31-32-26(30-27)24-13-7-8-18-28-24/h1-18H,19H2,(H,29,30,32)
InChI Key:
QNRODODTMXCRKU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc(nc1NCc1ccc(cc1)c1ccccc1)c1ccccn1
Properties
Complexity:
536  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.18g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
415.5g/mol
Monoisotopic Mass:
415.18g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Discovery of a new molecular probe ML228: an activator of the hypoxia inducible factor (HIF) pathway. Bioorganic & medicinal chemistry letters 20120101
Properties