0896-9137 Screening compound: N-[(1E)-3-(morpholin-4-yl)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-nitrobenzamide

0896-9137 Screening compound: N-[(1E)-3-(morpholin-4-yl)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-nitrobenzamide
0896-9137 Screening compound: N-[(1E)-3-(morpholin-4-yl)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0896-9137
N-[(1E)-3-(morpholin-4-yl)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-nitrobenzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0896-9137

Molecular Formula

C26H23N3O6 (C26 H23 N3 O6)

Compound Name

N-[(1E)-3-(morpholin-4-yl)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-nitrobenzamide

IUPAC name

N-[(1E)-3-(morpholin-4-yl)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(N/C(/C(N1CCOCC1)=O)=C/c1cc(Oc2ccccc2)ccc1)=O)=O

InChI

InChI=1S/C26H23N3O6/c30-25(20-9-11-21(12-10-20)29(32)33)27-24(26(31)28-13-15-34-16-14-28)18-19-5-4-8-23(17-19)35-22-6-2-1-3-7-22/h1-12,17-18H,13-16H2,(H,27,30)

InChI Key

UVSVLQPWNSPJFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00768631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.972

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-4.30

Polar Surface Area

86.849

Acid Dissociation Constant (pKa)

6.01

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

0896-9137 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0896-9137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0896-9137?
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What is the minimum amount of 0896-9137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0896-9137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0896-9137
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0896-9137 available by request