8004-6382 Screening compound: 4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-methoxyphenyl furan-2-carboxylate

8004-6382 Screening compound: 4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-methoxyphenyl furan-2-carboxylate
8004-6382 Screening compound: 4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-methoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6382
4-[(E)-{[2-(2,2-diphenylacetamido)acetamido]imino}methyl]-2-methoxyphenyl furan-2-carboxylate

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

8004-6382

Molecular Formula

C29H25N3O6 (C29 H25 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=N/NC(CNC(C(c1ccccc1)c1ccccc1)=O)=O)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C29H25N3O6/c1-36-25-17-20(14-15-23(25)38-29(35)24-13-8-16-37-24)18-31-32-26(33)19-30-28(34)27(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-18,27H,19H2,1H3,(H,30,34)(H,32,33)

InChI Key

FJJWWMFXKLTMGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.51

Polar Surface Area

96.427

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

8004-6382 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 8004-6382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6382?
Check Price and Availability of 8004-6382, 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 8004-6382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6382
  • 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 8004-6382 available by request