8004-5953 Screening compound: 4-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]-2-iodophenyl furan-2-carboxylate

8004-5953 Screening compound: 4-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]-2-iodophenyl furan-2-carboxylate
8004-5953 Screening compound: 4-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]-2-iodophenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5953
4-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]-2-iodophenyl 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

8004-5953

Molecular Formula

C21H14IN3O5 (C21 H14 IN3 O5)

Compound Name

4-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]-2-iodophenyl furan-2-carboxylate

IUPAC name

4-[(E)-{[2-(2-cyanophenoxy)acetamido]imino}methyl]-2-iodophenyl furan-2-carboxylate

SMILES

N#Cc(cccc1)c1OCC(N/N=C/c(cc1)cc(I)c1OC(c1ccco1)=O)=O

InChI

InChI=1S/C21H14IN3O5/c22-16-10-14(7-8-18(16)30-21(27)19-6-3-9-28-19)12-24-25-20(26)13-29-17-5-2-1-4-15(17)11-23/h1-10,12H,13H2,(H,25,26)

InChI Key

FGIRDQFBHLWRCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-4.14

Polar Surface Area

89.026

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8004-5953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5953?
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What is the minimum amount of 8004-5953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5953
  • 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 8004-5953 available by request