8005-7776 Screening compound: 4-{[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazono]methyl}-2-methoxyphenyl 2-chlorobenzoate

8005-7776 Screening compound: 4-{[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazono]methyl}-2-methoxyphenyl 2-chlorobenzoate
8005-7776 Screening compound: 4-{[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazono]methyl}-2-methoxyphenyl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7776
4-{[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazono]methyl}-2-methoxyphenyl 2-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

8005-7776

Molecular Formula

C24H19ClN2O6 (C24 H19 ClN2 O6)

Compound Name

4-{[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazono]methyl}-2-methoxyphenyl 2-chlorobenzoate

IUPAC name

4-[(E)-{[(23-dihydro-14-benzodioxin-6-yl)formamido]imino}methyl]-2-methoxyphenyl 2-chlorobenzoate

SMILES

COc(cc(/C=N/NC(c(cc1)cc2c1OCCO2)=O)cc1)c1OC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C24H19ClN2O6/c1-30-21-12-15(6-8-20(21)33-24(29)17-4-2-3-5-18(17)25)14-26-27-23(28)16-7-9-19-22(13-16)32-11-10-31-19/h2-9,12-14H,10-11H2,1H3,(H,27,28)

InChI Key

SJIJQSGEXGAHIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.45

Polar Surface Area

79.472

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8005-7776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7776?
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What is the minimum amount of 8005-7776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7776
  • 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 8005-7776 available by request