8005-7027 Screening compound: 2,4-dibromo-6-[(Z)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl benzoate

8005-7027 Screening compound: 2,4-dibromo-6-[(Z)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl benzoate
8005-7027 Screening compound: 2,4-dibromo-6-[(Z)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7027
2,4-dibromo-6-[(Z)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl benzoate

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

8005-7027

Molecular Formula

C23H16Br2N2O5 (C23 H16 Br2 N2 O5)

Compound Name

2,4-dibromo-6-[(Z)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl benzoate

IUPAC name

24-dibromo-6-[(Z)-{[(23-dihydro-14-benzodioxin-2-yl)formamido]imino}methyl]phenyl benzoate

SMILES

O=C(C1Oc(cccc2)c2OC1)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccccc1)=O

InChI

InChI=1S/C23H16Br2N2O5/c24-16-10-15(21(17(25)11-16)32-23(29)14-6-2-1-3-7-14)12-26-27-22(28)20-13-30-18-8-4-5-9-19(18)31-20/h1-12,20H,13H2,(H,27,28)/t20-/m0/s1

InChI Key

VLOKCWJFASUZGV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00821641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.008

Distribution Coefficient, logD

5.814

Water Solubility, LogSw

-6.00

Polar Surface Area

71.542

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8005-7027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7027?
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What is the minimum amount of 8005-7027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7027
  • 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 8005-7027 available by request