8006-1963 Screening compound: 4-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 2-iodobenzoate

8006-1963 Screening compound: 4-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 2-iodobenzoate
8006-1963 Screening compound: 4-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1963
4-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 2-iodobenzoate

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

8006-1963

Molecular Formula

C22H16IN3O6 (C22 H16 IN3 O6)

Compound Name

4-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 2-iodobenzoate

IUPAC name

4-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 2-iodobenzoate

SMILES

[O-][N+](c(cccc1)c1OCC(N/N=C/c(cc1)ccc1OC(c(cccc1)c1I)=O)=O)=O

InChI

InChI=1S/C22H16IN3O6/c23-18-6-2-1-5-17(18)22(28)32-16-11-9-15(10-12-16)13-24-25-21(27)14-31-20-8-4-3-7-19(20)26(29)30/h1-13H,14H2,(H,25,27)

InChI Key

DZLVHZQVONMOSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.242

Distribution Coefficient, logD

4.242

Water Solubility, LogSw

-4.53

Polar Surface Area

96.385

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8006-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1963?
Check Price and Availability of 8006-1963, 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 8006-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1963
  • 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 8006-1963 available by request