8003-4680 Screening compound: methyl 4-[(E)-{[4-(benzoyloxy)-3-nitrophenyl]methylidene}amino]benzoate

8003-4680 Screening compound: methyl 4-[(E)-{[4-(benzoyloxy)-3-nitrophenyl]methylidene}amino]benzoate
8003-4680 Screening compound: methyl 4-[(E)-{[4-(benzoyloxy)-3-nitrophenyl]methylidene}amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4680
methyl 4-[(E)-{[4-(benzoyloxy)-3-nitrophenyl]methylidene}amino]benzoate

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

8003-4680

Molecular Formula

C22H16N2O6 (C22 H16 N2 O6)

Compound Name

methyl 4-[(E)-{[4-(benzoyloxy)-3-nitrophenyl]methylidene}amino]benzoate

IUPAC name

methyl 4-[(E)-{[4-(benzoyloxy)-3-nitrophenyl]methylidene}amino]benzoate

SMILES

COC(c(cc1)ccc1/N=C/c(cc1)cc([N+]([O-])=O)c1OC(c1ccccc1)=O)=O

InChI

InChI=1S/C22H16N2O6/c1-29-21(25)17-8-10-18(11-9-17)23-14-15-7-12-20(19(13-15)24(27)28)30-22(26)16-5-3-2-4-6-16/h2-14H,1H3

InChI Key

PTKKBJTVPMWOEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.066

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-4.40

Polar Surface Area

83.085

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8003-4680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4680?
Check Price and Availability of 8003-4680, 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 8003-4680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4680
  • 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 8003-4680 available by request