Home Nitro Compounds 1009817-63-3
1009817-63-3,MFCD26142662
Catalog No.:AA00039T
1009817-63-3 | 4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]-1-(1-oxo-2-propen-1-yl)-, (3E,5E)-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
1 week  
$98.00   $69.00
- +
5mg
≥98%
1 week  
$144.00   $101.00
- +
10mg
98%
1 week  
$146.00   $102.00
- +
25mg
98%
1 week  
$209.00   $147.00
- +
50mg
98%
1 week  
$289.00   $202.00
- +
100mg
98%
1 week  
$447.00   $313.00
- +
200mg
98%
1 week  
$765.00   $535.00
- +
500mg
98%
1 week  
$1,241.00   $869.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00039T
Chemical Name:
4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]-1-(1-oxo-2-propen-1-yl)-, (3E,5E)-
CAS Number:
1009817-63-3
Molecular Formula:
C22H17N3O6
Molecular Weight:
419.3869
MDL Number:
MFCD26142662
IUPAC Name:
(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
InChI:
InChI=1S/C22H17N3O6/c1-2-21(26)23-13-17(11-15-3-7-19(8-4-15)24(28)29)22(27)18(14-23)12-16-5-9-20(10-6-16)25(30)31/h2-12H,1,13-14H2/b17-11+,18-12+
InChI Key:
GFARQYQBWJLZMW-JYFOCSDGSA-N
SMILES:
C=CC(=O)N1C/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1
NSC Number:
687852
Properties
Computed Properties
 
Complexity:
750  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
419.112g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.393g/mol
Monoisotopic Mass:
419.112g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
b-AP15 
1009817-63-3 
b-AP-15 
CHEMBL158037 
SCHEMBL14798452 
DTXSID30417703 
EX-A697 
GFARQYQBWJLZMW-JYFOCSDGSA-N 
ZINC5838765 
2249AH 
MFCD26142662 
NSC687852; b-AP15 
NSC687852 
s4920 
AKOS024458227 
CS-2689 
LM-3077 
4CA-0916 
BC600713 
HY-13989 
J-690005 
1-Acryloyl-3,5-bis[(E)-4-nitrobenzylidene]piperidine-4-one 
3,5-Bis[(4-nitrophenyl)methylene]-1-(1-oxo-2-propene-1-yl)-4-piperidone 
NSC 687852 
4-Piperidinone,5-bis[(4-nitrophenyl)methylene]- 1-(1-oxo-2-propenyl)- 
(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-(prop-2-enoyl)piperidin-4-one 
4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]-1-(1-oxo-2-propen-1-yl)-, (3E,5E)- 
N-[3-[[2,3-Dihydro-2-oxo-3-(1H-pyrrol-2-ylmethylene)-1H-indol-6-yl]amino]-4-methylphenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]ure a 
C22H17N3O6 
ACN-038480 
CID5351435 
A4453 
(3E,5E)-3,5-bis(4-nitrobenzylidene)-1-acryloylpiperidin-4-one 
(3E,5E)-3,5-Bis[(4-nitrophenyl)methylene]-1-(1-oxo-2-propen-1-yl)-4-piperidinone 
(3E,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one 
330450-45-8 
NSC 687852 (b-AP15) 
(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one 
b-AP15(NSC687852) 
NSC-687852 
AC1NS0JO 
Literature

Title: Cytotoxic 3,5-bis(benzylidene)piperidin-4-ones and N-acyl analogs displaying selective toxicity for malignant cells.

Journal: European journal of medicinal chemistry 20080101

Title: A conformational and structure-activity relationship study of cytotoxic 3,5-bis(arylidene)-4-piperidones and related N-acryloyl analogues.

Journal: Journal of medicinal chemistry 20010215

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A
Related Products