0800-0855 Screening compound: N-(4-ethoxy-2-nitrophenyl)-2,4-dinitrobenzamide

0800-0855 Screening compound: N-(4-ethoxy-2-nitrophenyl)-2,4-dinitrobenzamide
0800-0855 Screening compound: N-(4-ethoxy-2-nitrophenyl)-2,4-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0855
N-(4-ethoxy-2-nitrophenyl)-2,4-dinitrobenzamide

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

0800-0855

Molecular Formula

C15H12N4O8 (C15 H12 N4 O8)

Compound Name

N-(4-ethoxy-2-nitrophenyl)-2,4-dinitrobenzamide

IUPAC name

N-(4-ethoxy-2-nitrophenyl)-24-dinitrobenzamide

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1NC(c(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C15H12N4O8/c1-2-27-10-4-6-12(14(8-10)19(25)26)16-15(20)11-5-3-9(17(21)22)7-13(11)18(23)24/h3-8H,2H2,1H3,(H,16,20)

InChI Key

CMZAXKMZGBVXGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.28

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

0.556

Water Solubility, LogSw

-3.92

Polar Surface Area

129.298

Acid Dissociation Constant (pKa)

4.41

Base Dissociation Constant (pKb)

-7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 0800-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0855?
Check Price and Availability of 0800-0855, 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 0800-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0855
  • 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 0800-0855 available by request