8004-0723 Screening compound: 4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-chlorobenzoate

8004-0723 Screening compound: 4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-chlorobenzoate
8004-0723 Screening compound: 4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0723
4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-chlorobenzoate

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

8004-0723

Molecular Formula

C29H23ClN2O5 (C29 H23 ClN2 O5)

Compound Name

4-[(E)-[(2-hydroxy-2,2-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-chlorobenzoate

IUPAC name

4-[(E)-[(2-hydroxy-22-diphenylacetamido)imino]methyl]-2-methoxyphenyl 2-chlorobenzoate

SMILES

COc(cc(/C=N/NC(C(c1ccccc1)(c1ccccc1)O)=O)cc1)c1OC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C29H23ClN2O5/c1-36-26-18-20(16-17-25(26)37-27(33)23-14-8-9-15-24(23)30)19-31-32-28(34)29(35,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19,35H,1H3,(H,32,34)

InChI Key

ITGWVVJZPLILED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.495

Distribution Coefficient, logD

5.491

Water Solubility, LogSw

-5.49

Polar Surface Area

78.446

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

8004-0723 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8004-0723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0723?
Check Price and Availability of 8004-0723, 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 8004-0723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0723
  • 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 8004-0723 available by request