0800-0860 Screening compound: N-(4-ethoxy-2-nitrophenyl)-3-nitrobenzamide

0800-0860 Screening compound: N-(4-ethoxy-2-nitrophenyl)-3-nitrobenzamide
0800-0860 Screening compound: N-(4-ethoxy-2-nitrophenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0860
N-(4-ethoxy-2-nitrophenyl)-3-nitrobenzamide

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

0800-0860

Molecular Formula

C15H13N3O6 (C15 H13 N3 O6)

Compound Name

N-(4-ethoxy-2-nitrophenyl)-3-nitrobenzamide

IUPAC name

N-(4-ethoxy-2-nitrophenyl)-3-nitrobenzamide

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1NC(c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C15H13N3O6/c1-2-24-12-6-7-13(14(9-12)18(22)23)16-15(19)10-4-3-5-11(8-10)17(20)21/h3-9H,2H2,1H3,(H,16,19)

InChI Key

QJCGZBFCSVJJDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00508572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.28

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

2.179

Water Solubility, LogSw

-4.02

Polar Surface Area

96.218

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

-6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0800-0860 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0800-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0860?
Check Price and Availability of 0800-0860, 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 0800-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0860
  • 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 0800-0860 available by request