8005-6728 Screening compound: 2,4-dibromo-6-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

8005-6728 Screening compound: 2,4-dibromo-6-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate
8005-6728 Screening compound: 2,4-dibromo-6-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6728
2,4-dibromo-6-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

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

8005-6728

Molecular Formula

C23H14Br3ClN2O6 (C23 H14 Br3 ClN2 O6)

Compound Name

2,4-dibromo-6-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

IUPAC name

24-dibromo-6-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]phenyl 2H-13-benzodioxole-5-carboxylate

SMILES

O=C(COc(ccc(Cl)c1)c1Br)N/N=C/c1cc(Br)cc(Br)c1OC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C23H14Br3ClN2O6/c24-14-5-13(9-28-29-21(30)10-32-18-4-2-15(27)8-16(18)25)22(17(26)7-14)35-23(31)12-1-3-19-20(6-12)34-11-33-19/h1-9H,10-11H2,(H,29,30)

InChI Key

GXHKXHYPCHHKQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

689.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.971

Distribution Coefficient, logD

6.933

Water Solubility, LogSw

-6.65

Polar Surface Area

80.593

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8005-6728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6728?
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What is the minimum amount of 8005-6728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6728
  • 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 8005-6728 available by request