8003-8882 Screening compound: N-(1-[(benzylsulfanyl)methyl]-2-{2-[(E)-1-(4-hydroxyphenyl)methylidene]hydrazino}-2-oxoethyl)-4-nitrobenzamide

8003-8882 Screening compound: N-(1-[(benzylsulfanyl)methyl]-2-{2-[(E)-1-(4-hydroxyphenyl)methylidene]hydrazino}-2-oxoethyl)-4-nitrobenzamide
8003-8882 Screening compound: N-(1-[(benzylsulfanyl)methyl]-2-{2-[(E)-1-(4-hydroxyphenyl)methylidene]hydrazino}-2-oxoethyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8882
N-(1-[(benzylsulfanyl)methyl]-2-{2-[(E)-1-(4-hydroxyphenyl)methylidene]hydrazino}-2-oxoethyl)-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

8003-8882

Molecular Formula

C24H22N4O5S (C24 H22 N4 O5 S)

Compound Name

N-(1-[(benzylsulfanyl)methyl]-2-{2-[(E)-1-(4-hydroxyphenyl)methylidene]hydrazino}-2-oxoethyl)-4-nitrobenzamide

IUPAC name

N-[2-(benzylsulfanyl)-1-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}ethyl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(NC(CSCc1ccccc1)C(N/N=C/c(cc1)ccc1O)=O)=O)=O

InChI

InChI=1S/C24H22N4O5S/c29-21-12-6-17(7-13-21)14-25-27-24(31)22(16-34-15-18-4-2-1-3-5-18)26-23(30)19-8-10-20(11-9-19)28(32)33/h1-14,22,29H,15-16H2,(H,26,30)(H,27,31)/t22-/m0/s1

InChI Key

XQWIXGSJROBAPJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00471475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.81

Polar Surface Area

110.596

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8003-8882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8882?
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What is the minimum amount of 8003-8882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8882
  • 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 8003-8882 available by request