3257-0407 Screening compound: 2-methoxy-4-[(4-nitrobenzoyloxy)methyl]phenyl 4-nitrobenzoate

3257-0407 Screening compound: 2-methoxy-4-[(4-nitrobenzoyloxy)methyl]phenyl 4-nitrobenzoate
3257-0407 Screening compound: 2-methoxy-4-[(4-nitrobenzoyloxy)methyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-0407
2-methoxy-4-[(4-nitrobenzoyloxy)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

3257-0407

Molecular Formula

C22H16N2O9 (C22 H16 N2 O9)

Compound Name

2-methoxy-4-[(4-nitrobenzoyloxy)methyl]phenyl 4-nitrobenzoate

IUPAC name

2-methoxy-4-[(4-nitrobenzoyloxy)methyl]phenyl 4-nitrobenzoate

SMILES

COc(cc(COC(c(cc1)ccc1[N+]([O-])=O)=O)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C22H16N2O9/c1-31-20-12-14(13-32-21(25)15-3-7-17(8-4-15)23(27)28)2-11-19(20)33-22(26)16-5-9-18(10-6-16)24(29)30/h2-12H,13H2,1H3

InChI Key

WLLQNCJSRUIORO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00320965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.38

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.802

Water Solubility, LogSw

-5.04

Polar Surface Area

115.954

Acid Dissociation Constant (pKa)

29.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 3257-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-0407?
Check Price and Availability of 3257-0407, 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 3257-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-0407
  • 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 3257-0407 available by request