8002-9521 Screening compound: 4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-methoxyphenyl benzoate

8002-9521 Screening compound: 4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-methoxyphenyl benzoate
8002-9521 Screening compound: 4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-methoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9521
4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-methoxyphenyl 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

8002-9521

Molecular Formula

C31H27N3O5 (C31 H27 N3 O5)

Compound Name

4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-methoxyphenyl benzoate

IUPAC name

4-[(E)-{[2-(22-diphenylacetamido)acetamido]imino}methyl]-2-methoxyphenyl benzoate

SMILES

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

InChI

InChI=1S/C31H27N3O5/c1-38-27-19-22(17-18-26(27)39-31(37)25-15-9-4-10-16-25)20-33-34-28(35)21-32-30(36)29(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20,29H,21H2,1H3,(H,32,36)(H,34,35)

InChI Key

CPGIXWHHIYFLRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.963

Distribution Coefficient, logD

4.962

Water Solubility, LogSw

-4.84

Polar Surface Area

87.849

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

8002-9521 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 8002-9521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9521?
Check Price and Availability of 8002-9521, 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 8002-9521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9521
  • 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 8002-9521 available by request