8004-6500 Screening compound: 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide

8004-6500 Screening compound: 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
8004-6500 Screening compound: 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6500
4-chloro-N-(4-methoxy-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

8004-6500

Molecular Formula

C14H10ClN3O6 (C14 H10 ClN3 O6)

Compound Name

4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide

IUPAC name

4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide

SMILES

COc(cc1)cc([N+]([O-])=O)c1NC(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C14H10ClN3O6/c1-24-9-3-5-11(13(7-9)18(22)23)16-14(19)8-2-4-10(15)12(6-8)17(20)21/h2-7H,1H3,(H,16,19)

InChI Key

XBCJWOZDLUHQIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00686806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.579

Distribution Coefficient, logD

1.133

Water Solubility, LogSw

-4.15

Polar Surface Area

96.337

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

-7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 8004-6500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6500?
Check Price and Availability of 8004-6500, 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 8004-6500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6500
  • 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 8004-6500 available by request