8004-0762 Screening compound: 2-(2-bromo-4-nitrophenoxy)-N'-[(1E)-1-(4-tert-butylphenyl)ethylidene]acetohydrazide

8004-0762 Screening compound: 2-(2-bromo-4-nitrophenoxy)-N'-[(1E)-1-(4-tert-butylphenyl)ethylidene]acetohydrazide
8004-0762 Screening compound: 2-(2-bromo-4-nitrophenoxy)-N'-[(1E)-1-(4-tert-butylphenyl)ethylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0762
2-(2-bromo-4-nitrophenoxy)-N'-[(1E)-1-(4-tert-butylphenyl)ethylidene]acetohydrazide

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

8004-0762

Molecular Formula

C20H22BrN3O4 (C20 H22 BrN3 O4)

Compound Name

2-(2-bromo-4-nitrophenoxy)-N'-[(1E)-1-(4-tert-butylphenyl)ethylidene]acetohydrazide

IUPAC name

2-(2-bromo-4-nitrophenoxy)-N'-[(1E)-1-(4-tert-butylphenyl)ethylidene]acetohydrazide

SMILES

CC(C)(C)c(cc1)ccc1/C(/C)=N/NC(COc(ccc([N+]([O-])=O)c1)c1Br)=O

InChI

InChI=1S/C20H22BrN3O4/c1-13(14-5-7-15(8-6-14)20(2,3)4)22-23-19(25)12-28-18-10-9-16(24(26)27)11-17(18)21/h5-11H,12H2,1-4H3,(H,23,25)

InChI Key

JVSWMSLSIIXLLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00351215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.727

Water Solubility, LogSw

-5.46

Polar Surface Area

75.596

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8004-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0762?
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What is the minimum amount of 8004-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0762
  • 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 8004-0762 available by request