8003-5051 Screening compound: N-allyl-2-[2-((E)-1-{4-[(4-nitrobenzyl)oxy]phenyl}methylidene)hydrazino]-2-oxoacetamide

8003-5051 Screening compound: N-allyl-2-[2-((E)-1-{4-[(4-nitrobenzyl)oxy]phenyl}methylidene)hydrazino]-2-oxoacetamide
8003-5051 Screening compound: N-allyl-2-[2-((E)-1-{4-[(4-nitrobenzyl)oxy]phenyl}methylidene)hydrazino]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5051
N-allyl-2-[2-((E)-1-{4-[(4-nitrobenzyl)oxy]phenyl}methylidene)hydrazino]-2-oxoacetamide

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

8003-5051

Molecular Formula

C19H18N4O5 (C19 H18 N4 O5)

Compound Name

N-allyl-2-[2-((E)-1-{4-[(4-nitrobenzyl)oxy]phenyl}methylidene)hydrazino]-2-oxoacetamide

IUPAC name

1-{N'-[(E)-{4-[(4-nitrophenyl)methoxy]phenyl}methylidene]hydrazinecarbonyl}-N-(prop-2-en-1-yl)formamide

SMILES

C=CCNC(C(N/N=C/c(cc1)ccc1OCc(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C19H18N4O5/c1-2-11-20-18(24)19(25)22-21-12-14-5-9-17(10-6-14)28-13-15-3-7-16(8-4-15)23(26)27/h2-10,12H,1,11,13H2,(H,20,24)(H,22,25)

InChI Key

IQCXRRNXONGLLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

0.829

Water Solubility, LogSw

-2.73

Polar Surface Area

100.961

Acid Dissociation Constant (pKa)

5.89

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

References: we are preparing a list of scientific research reports with 8003-5051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5051?
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What is the minimum amount of 8003-5051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5051
  • 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 8003-5051 available by request