8005-7410 Screening compound: 4-bromo-2-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]phenyl benzoate

8005-7410 Screening compound: 4-bromo-2-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]phenyl benzoate
8005-7410 Screening compound: 4-bromo-2-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7410
4-bromo-2-[(E)-{[2-(2-cyanophenoxy)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

8005-7410

Molecular Formula

C23H16BrN3O4 (C23 H16 BrN3 O4)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cccc1)c1OCC(N/N=C/c(cc(cc1)Br)c1OC(c1ccccc1)=O)=O

InChI

InChI=1S/C23H16BrN3O4/c24-19-10-11-21(31-23(29)16-6-2-1-3-7-16)18(12-19)14-26-27-22(28)15-30-20-9-5-4-8-17(20)13-25/h1-12,14H,15H2,(H,27,28)

InChI Key

MEBDRZJPVUVEKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.3

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

4.458

Distribution Coefficient, logD

4.453

Water Solubility, LogSw

-4.50

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

8005-7410 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-7410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7410?
Check Price and Availability of 8005-7410, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8005-7410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7410
  • 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 8005-7410 available by request