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Emd-1214063

CAS No.:
1100598-32-0
Catalog Number:
AG0039KZ
Molecular Formula:
C29H28N6O2
Molecular Weight:
492.5716
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
≥98%
1 week
United States
$228
- +
10mg
≥98%
1 week
United States
$373
- +
50mg
99%
1 week
United States
$723
- +
100mg
99%
1 week
United States
$1223
- +
Product Description
Catalog Number:
AG0039KZ
Chemical Name:
Emd-1214063
CAS Number:
1100598-32-0
Molecular Formula:
C29H28N6O2
Molecular Weight:
492.5716
MDL Number:
MFCD18452823
IUPAC Name:
3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
InChI:
InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3
InChI Key:
AHYMHWXQRWRBKT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(=O)n(n1)Cc1cccc(c1)c1ncc(cn1)OCC1CCN(CC1)C
UNII:
1IJV77EI07
Properties
Complexity:
880  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.227g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.583g/mol
Monoisotopic Mass:
492.227g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
EMD 1214063 and EMD 1204831 constitute a new class of potent and highly selective c-Met inhibitors. Clinical cancer research : an official journal of the American Association for Cancer Research 20130601
Properties