0983-0339 Screening compound: 3-methyl-4-nitrophenyl 4-nitrobenzoate

0983-0339 Screening compound: 3-methyl-4-nitrophenyl 4-nitrobenzoate
0983-0339 Screening compound: 3-methyl-4-nitrophenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0983-0339
3-methyl-4-nitrophenyl 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

0983-0339

Molecular Formula

C14H10N2O6 (C14 H10 N2 O6)

Compound Name

3-methyl-4-nitrophenyl 4-nitrobenzoate

IUPAC name

3-methyl-4-nitrophenyl 4-nitrobenzoate

SMILES

Cc(cc(cc1)OC(c(cc2)ccc2[N+]([O-])=O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C14H10N2O6/c1-9-8-12(6-7-13(9)16(20)21)22-14(17)10-2-4-11(5-3-10)15(18)19/h2-8H,1H3

InChI Key

OVAUYUFIJGIOPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.24

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.598

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-3.97

Polar Surface Area

87.078

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 0983-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0983-0339?
Check Price and Availability of 0983-0339, 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 0983-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0983-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0983-0339
  • 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 0983-0339 available by request