8004-5764 Screening compound: methyl 4-[(E)-{[2-(4-chlorophenoxy)acetamido]imino}methyl]benzoate

8004-5764 Screening compound: methyl 4-[(E)-{[2-(4-chlorophenoxy)acetamido]imino}methyl]benzoate
8004-5764 Screening compound: methyl 4-[(E)-{[2-(4-chlorophenoxy)acetamido]imino}methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5764
methyl 4-[(E)-{[2-(4-chlorophenoxy)acetamido]imino}methyl]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

8004-5764

Molecular Formula

C17H15ClN2O4 (C17 H15 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(/C=N/NC(COc(cc2)ccc2Cl)=O)cc1)=O

InChI

InChI=1S/C17H15ClN2O4/c1-23-17(22)13-4-2-12(3-5-13)10-19-20-16(21)11-24-15-8-6-14(18)7-9-15/h2-10H,11H2,1H3,(H,20,21)

InChI Key

KGVFWDDFVFVQLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-4.17

Polar Surface Area

64.014

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 8004-5764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5764?
Check Price and Availability of 8004-5764, 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 8004-5764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5764
  • 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 8004-5764 available by request