8006-2123 Screening compound: 4-bromo-2-[(E)-({2-[(4-chlorophenyl)formamido]acetamido}imino)methyl]phenyl benzoate

8006-2123 Screening compound: 4-bromo-2-[(E)-({2-[(4-chlorophenyl)formamido]acetamido}imino)methyl]phenyl benzoate
8006-2123 Screening compound: 4-bromo-2-[(E)-({2-[(4-chlorophenyl)formamido]acetamido}imino)methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2123
4-bromo-2-[(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

8006-2123

Molecular Formula

C23H17BrClN3O4 (C23 H17 BrClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H17BrClN3O4/c24-18-8-11-20(32-23(31)16-4-2-1-3-5-16)17(12-18)13-27-28-21(29)14-26-22(30)15-6-9-19(25)10-7-15/h1-13H,14H2,(H,26,30)(H,28,29)

InChI Key

BEJKIKSAMQDRTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.76

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

5.059

Distribution Coefficient, logD

5.057

Water Solubility, LogSw

-5.48

Polar Surface Area

80.490

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8006-2123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2123?
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What is the minimum amount of 8006-2123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2123
  • 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 8006-2123 available by request