8005-7007 Screening compound: 4-bromo-2-{[(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazono]methyl}phenyl 4-nitrobenzoate

8005-7007 Screening compound: 4-bromo-2-{[(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazono]methyl}phenyl 4-nitrobenzoate
8005-7007 Screening compound: 4-bromo-2-{[(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazono]methyl}phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7007
4-bromo-2-{[(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazono]methyl}phenyl 4-nitrobenzoate

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

8005-7007

Molecular Formula

C23H16BrN3O7 (C23 H16 BrN3 O7)

Compound Name

4-bromo-2-{[(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazono]methyl}phenyl 4-nitrobenzoate

IUPAC name

4-bromo-2-[(Z)-{[(23-dihydro-14-benzodioxin-6-yl)formamido]imino}methyl]phenyl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(Oc(cc1)c(/C=N\NC(c(cc2)cc3c2OCCO3)=O)cc1Br)=O)=O

InChI

InChI=1S/C23H16BrN3O7/c24-17-4-8-19(34-23(29)14-1-5-18(6-2-14)27(30)31)16(11-17)13-25-26-22(28)15-3-7-20-21(12-15)33-10-9-32-20/h1-8,11-13H,9-10H2,(H,26,28)

InChI Key

QNQPCRWWTTYYNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.3

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.52

Polar Surface Area

105.223

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8005-7007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7007?
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What is the minimum amount of 8005-7007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7007
  • 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 8005-7007 available by request