8005-7347 Screening compound: 4-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl 4-bromobenzoate

8005-7347 Screening compound: 4-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl 4-bromobenzoate
8005-7347 Screening compound: 4-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7347
4-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl 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

8005-7347

Molecular Formula

C25H20BrN3O5 (C25 H20 BrN3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=N/NC(COc(cccc1)c1C#N)=O)cc1)c1OC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C25H20BrN3O5/c1-2-32-23-13-17(7-12-22(23)34-25(31)18-8-10-20(26)11-9-18)15-28-29-24(30)16-33-21-6-4-3-5-19(21)14-27/h3-13,15H,2,16H2,1H3,(H,29,30)

InChI Key

XZFLYRMFYRMSJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.626

Distribution Coefficient, logD

4.626

Water Solubility, LogSw

-4.45

Polar Surface Area

87.658

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 8005-7347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7347?
Check Price and Availability of 8005-7347, 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 8005-7347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7347
  • 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 8005-7347 available by request