8003-5597 Screening compound: 2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 4-chlorobenzoate

8003-5597 Screening compound: 2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 4-chlorobenzoate
8003-5597 Screening compound: 2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5597
2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 4-chlorobenzoate

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

8003-5597

Molecular Formula

C20H14ClN3O4 (C20 H14 ClN3 O4)

Compound Name

2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 4-chlorobenzoate

IUPAC name

2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 4-chlorobenzoate

SMILES

[O-][N+](c(cc1)ccc1N/N=C/c(cccc1)c1OC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C20H14ClN3O4/c21-16-7-5-14(6-8-16)20(25)28-19-4-2-1-3-15(19)13-22-23-17-9-11-18(12-10-17)24(26)27/h1-13,23H

InChI Key

LBJQVJZPOBGIRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.396

Distribution Coefficient, logD

5.396

Water Solubility, LogSw

-6.17

Polar Surface Area

75.221

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8003-5597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5597?
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What is the minimum amount of 8003-5597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5597
  • 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 8003-5597 available by request