8004-6404 Screening compound: 3-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl furan-2-carboxylate

8004-6404 Screening compound: 3-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl furan-2-carboxylate
8004-6404 Screening compound: 3-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6404
3-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 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

8004-6404

Molecular Formula

C24H23N3O8 (C24 H23 N3 O8)

Compound Name

3-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl furan-2-carboxylate

IUPAC name

3-[(E)-({2-[(345-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl furan-2-carboxylate

SMILES

COc1cc(C(NCC(N/N=C/c2cc(OC(c3ccco3)=O)ccc2)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C24H23N3O8/c1-31-19-11-16(12-20(32-2)22(19)33-3)23(29)25-14-21(28)27-26-13-15-6-4-7-17(10-15)35-24(30)18-8-5-9-34-18/h4-13H,14H2,1-3H3,(H,25,29)(H,27,28)

InChI Key

XOUXNRVZKVEARZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-3.03

Polar Surface Area

111.960

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8004-6404 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-6404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6404?
Check Price and Availability of 8004-6404, 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 8004-6404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6404
  • 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 8004-6404 available by request