8003-4661 Screening compound: 4-[(E)-[(2,2-diphenylacetamido)imino]methyl]phenyl benzoate

8003-4661 Screening compound: 4-[(E)-[(2,2-diphenylacetamido)imino]methyl]phenyl benzoate
8003-4661 Screening compound: 4-[(E)-[(2,2-diphenylacetamido)imino]methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4661
4-[(E)-[(2,2-diphenylacetamido)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

8003-4661

Molecular Formula

C28H22N2O3 (C28 H22 N2 O3)

Compound Name

4-[(E)-[(2,2-diphenylacetamido)imino]methyl]phenyl benzoate

IUPAC name

4-[(E)-[(22-diphenylacetamido)imino]methyl]phenyl benzoate

SMILES

O=C(C(c1ccccc1)c1ccccc1)N/N=C/c(cc1)ccc1OC(c1ccccc1)=O

InChI

InChI=1S/C28H22N2O3/c31-27(26(22-10-4-1-5-11-22)23-12-6-2-7-13-23)30-29-20-21-16-18-25(19-17-21)33-28(32)24-14-8-3-9-15-24/h1-20,26H,(H,30,31)

InChI Key

IEQUIWFRSAASGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00637280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-6.03

Polar Surface Area

55.660

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

8003-4661 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 8003-4661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4661?
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What is the minimum amount of 8003-4661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4661
  • 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 8003-4661 available by request