8006-1904 Screening compound: 2,4-dibromo-6-[(E)-({2-[(4-chlorophenyl)formamido]acetamido}imino)methyl]phenyl benzoate

8006-1904 Screening compound: 2,4-dibromo-6-[(E)-({2-[(4-chlorophenyl)formamido]acetamido}imino)methyl]phenyl benzoate
8006-1904 Screening compound: 2,4-dibromo-6-[(E)-({2-[(4-chlorophenyl)formamido]acetamido}imino)methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1904
2,4-dibromo-6-[(E)-({2-[(4-chlorophenyl)formamido]acetamido}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

8006-1904

Molecular Formula

C23H16Br2ClN3O4 (C23 H16 Br2 ClN3 O4)

Compound Name

2,4-dibromo-6-[(E)-({2-[(4-chlorophenyl)formamido]acetamido}imino)methyl]phenyl benzoate

IUPAC name

24-dibromo-6-[(E)-({2-[(4-chlorophenyl)formamido]acetamido}imino)methyl]phenyl benzoate

SMILES

O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C/c1cc(Br)cc(Br)c1OC(c1ccccc1)=O

InChI

InChI=1S/C23H16Br2ClN3O4/c24-17-10-16(21(19(25)11-17)33-23(32)15-4-2-1-3-5-15)12-28-29-20(30)13-27-22(31)14-6-8-18(26)9-7-14/h1-12H,13H2,(H,27,31)(H,29,30)

InChI Key

VNQUYFQLROTCDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.051

Distribution Coefficient, logD

6.035

Water Solubility, LogSw

-6.36

Polar Surface Area

80.577

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8006-1904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1904?
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What is the minimum amount of 8006-1904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1904
  • 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 8006-1904 available by request