8003-5596 Screening compound: 2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 3-methylbenzoate

8003-5596 Screening compound: 2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 3-methylbenzoate
8003-5596 Screening compound: 2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5596
2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 3-methylbenzoate

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

8003-5596

Molecular Formula

C21H17N3O4 (C21 H17 N3 O4)

Compound Name

2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 3-methylbenzoate

IUPAC name

2-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl 3-methylbenzoate

SMILES

Cc1cccc(C(Oc2c(/C=N/Nc(cc3)ccc3[N+]([O-])=O)cccc2)=O)c1

InChI

InChI=1S/C21H17N3O4/c1-15-5-4-7-16(13-15)21(25)28-20-8-3-2-6-17(20)14-22-23-18-9-11-19(12-10-18)24(26)27/h2-14,23H,1H3

InChI Key

XEYJRYQYDOLNPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.38

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

5.052

Distribution Coefficient, logD

5.052

Water Solubility, LogSw

-4.81

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

4.80

8003-5596 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-5596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5596?
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What is the minimum amount of 8003-5596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5596
  • 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 8003-5596 available by request