8006-3601 Screening compound: 4-[(E)-{[(2-nitrophenyl)formamido]imino}methyl]phenyl 2-chlorobenzoate

8006-3601 Screening compound: 4-[(E)-{[(2-nitrophenyl)formamido]imino}methyl]phenyl 2-chlorobenzoate
8006-3601 Screening compound: 4-[(E)-{[(2-nitrophenyl)formamido]imino}methyl]phenyl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3601
4-[(E)-{[(2-nitrophenyl)formamido]imino}methyl]phenyl 2-chlorobenzoate

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

8006-3601

Molecular Formula

C21H14ClN3O5 (C21 H14 ClN3 O5)

Compound Name

4-[(E)-{[(2-nitrophenyl)formamido]imino}methyl]phenyl 2-chlorobenzoate

IUPAC name

4-[(E)-{[(2-nitrophenyl)formamido]imino}methyl]phenyl 2-chlorobenzoate

SMILES

[O-][N+](c(cccc1)c1C(N/N=C/c(cc1)ccc1OC(c(cccc1)c1Cl)=O)=O)=O

InChI

InChI=1S/C21H14ClN3O5/c22-18-7-3-1-5-16(18)21(27)30-15-11-9-14(10-12-15)13-23-24-20(26)17-6-2-4-8-19(17)25(28)29/h1-13H,(H,24,26)

InChI Key

PELCXKFPFHHXOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.81

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-4.73

Polar Surface Area

89.013

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8006-3601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3601?
Check Price and Availability of 8006-3601, 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 8006-3601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3601
  • 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 8006-3601 available by request