8006-1974 Screening compound: 3-[(E)-{[2-(3,4-dimethylphenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate

8006-1974 Screening compound: 3-[(E)-{[2-(3,4-dimethylphenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate
8006-1974 Screening compound: 3-[(E)-{[2-(3,4-dimethylphenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1974
3-[(E)-{[2-(3,4-dimethylphenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate

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

8006-1974

Molecular Formula

C24H21N3O6 (C24 H21 N3 O6)

Compound Name

3-[(E)-{[2-(3,4-dimethylphenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate

IUPAC name

3-[(E)-{[2-(34-dimethylphenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate

SMILES

Cc(cc1)c(C)cc1OCC(N/N=C/c1cccc(OC(c(cc2)ccc2[N+]([O-])=O)=O)c1)=O

InChI

InChI=1S/C24H21N3O6/c1-16-6-11-21(12-17(16)2)32-15-23(28)26-25-14-18-4-3-5-22(13-18)33-24(29)19-7-9-20(10-8-19)27(30)31/h3-14H,15H2,1-2H3,(H,26,28)

InChI Key

NAAJIUJQDYWSGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.45

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

4.917

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.79

Polar Surface Area

96.599

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8006-1974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1974?
Check Price and Availability of 8006-1974, 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 8006-1974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1974
  • 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 8006-1974 available by request