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Home Other Building Blocks 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-(2-methylbenzoyl)oxime]

2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-(2-methylbenzoyl)oxime]

CAS No.:
321688-88-4
Catalog Number:
AG00C6HD
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$147
- +
50mg
98%
1 week
United States
$423
- +
Product Description
Catalog Number:
AG00C6HD
Chemical Name:
2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-(2-methylbenzoyl)oxime]
CAS Number:
321688-88-4
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
MDL Number:
MFCD00534351
IUPAC Name:
[(Z)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoate
InChI:
InChI=1S/C18H19NO3/c1-11(2)15-10-16(13(4)9-17(15)20)19-22-18(21)14-8-6-5-7-12(14)3/h5-11H,1-4H3/b19-16-
InChI Key:
CMOJHDQJJPIVEC-MNDPQUGUSA-N
SMILES:
CC1=CC(=O)C(=C/C/1=N/OC(=O)c1ccccc1C)C(C)C
Properties
Complexity:
555  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Polo-box domain inhibitor poloxin activates the spindle assembly checkpoint and inhibits tumor growth in vivo. The American journal of pathology 20111001
Inhibition of polo-like kinase 1 by blocking polo-box domain-dependent protein-protein interactions. Chemistry & biology 20080501
Properties