Name: Name:4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]-1-(1-oxo-2-propen-1-yl)-, (3E,5E)-
Brand: AABLOCKS
SKU: AA00039T
Rating: 90 (10 reviews)

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%

in stock

$18.00 $13.00

- +

5mg

98%

in stock

$43.00 $30.00

- +

10mg

98%

in stock

$71.00 $50.00

- +

25mg

98%

in stock

$124.00 $87.00

- +

Technical Information
Properties
Literature
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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

419.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

419.393g/mol

Monoisotopic Mass:

419.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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

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