8004-5132 Screening compound: 4-[(E)-[(4-methylphenyl)imino]methyl]-2-nitrophenyl (2E)-3-(4-bromophenyl)prop-2-enoate

8004-5132 Screening compound: 4-[(E)-[(4-methylphenyl)imino]methyl]-2-nitrophenyl (2E)-3-(4-bromophenyl)prop-2-enoate
8004-5132 Screening compound: 4-[(E)-[(4-methylphenyl)imino]methyl]-2-nitrophenyl (2E)-3-(4-bromophenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5132
4-[(E)-[(4-methylphenyl)imino]methyl]-2-nitrophenyl (2E)-3-(4-bromophenyl)prop-2-enoate

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

8004-5132

Molecular Formula

C23H17BrN2O4 (C23 H17 BrN2 O4)

Compound Name

4-[(E)-[(4-methylphenyl)imino]methyl]-2-nitrophenyl (2E)-3-(4-bromophenyl)prop-2-enoate

IUPAC name

4-[(E)-[(4-methylphenyl)imino]methyl]-2-nitrophenyl (2E)-3-(4-bromophenyl)prop-2-enoate

SMILES

Cc(cc1)ccc1/N=C/c(cc1)cc([N+]([O-])=O)c1OC(/C=C/c(cc1)ccc1Br)=O

InChI

InChI=1S/C23H17BrN2O4/c1-16-2-10-20(11-3-16)25-15-18-6-12-22(21(14-18)26(28)29)30-23(27)13-7-17-4-8-19(24)9-5-17/h2-15H,1H3

InChI Key

VQTYDFMZWQDSKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.768

Distribution Coefficient, logD

5.768

Water Solubility, LogSw

-5.55

Polar Surface Area

61.316

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

8004-5132 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 8004-5132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5132?
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What is the minimum amount of 8004-5132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5132
  • 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 8004-5132 available by request