8006-1781 Screening compound: 4-[(E)-{[2-(4-chlorophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl benzoate

8006-1781 Screening compound: 4-[(E)-{[2-(4-chlorophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl benzoate
8006-1781 Screening compound: 4-[(E)-{[2-(4-chlorophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1781
4-[(E)-{[2-(4-chlorophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl 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

8006-1781

Molecular Formula

C24H21ClN2O5 (C24 H21 ClN2 O5)

Compound Name

4-[(E)-{[2-(4-chlorophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl benzoate

IUPAC name

4-[(E)-{[2-(4-chlorophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl benzoate

SMILES

CCOc(cc(/C=N/NC(COc(cc1)ccc1Cl)=O)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C24H21ClN2O5/c1-2-30-22-14-17(8-13-21(22)32-24(29)18-6-4-3-5-7-18)15-26-27-23(28)16-31-20-11-9-19(25)10-12-20/h3-15H,2,16H2,1H3,(H,27,28)

InChI Key

OWWONSPAEYGJCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.663

Distribution Coefficient, logD

4.662

Water Solubility, LogSw

-5.11

Polar Surface Area

70.515

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8006-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1781?
Check Price and Availability of 8006-1781, 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 8006-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1781
  • 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 8006-1781 available by request