8005-7813 Screening compound: 4-bromo-2-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

8005-7813 Screening compound: 4-bromo-2-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate
8005-7813 Screening compound: 4-bromo-2-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7813
4-bromo-2-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

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

8005-7813

Molecular Formula

C23H15Br2N3O4 (C23 H15 Br2 N3 O4)

Compound Name

4-bromo-2-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

IUPAC name

4-bromo-2-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

SMILES

N#Cc(cccc1)c1OCC(N/N=C/c(cc(cc1)Br)c1OC(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C23H15Br2N3O4/c24-18-7-5-15(6-8-18)23(30)32-21-10-9-19(25)11-17(21)13-27-28-22(29)14-31-20-4-2-1-3-16(20)12-26/h1-11,13H,14H2,(H,28,29)

InChI Key

UKRHBDSPLXSFSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.397

Distribution Coefficient, logD

5.392

Water Solubility, LogSw

-5.79

Polar Surface Area

80.447

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8005-7813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7813?
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What is the minimum amount of 8005-7813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7813
  • 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 8005-7813 available by request