2164-0687 Screening compound: N-(4-methoxyphenyl)-3,5-dinitrobenzamide

2164-0687 Screening compound: N-(4-methoxyphenyl)-3,5-dinitrobenzamide
2164-0687 Screening compound: N-(4-methoxyphenyl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2164-0687
N-(4-methoxyphenyl)-3,5-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

2164-0687

Molecular Formula

C14H11N3O6 (C14 H11 N3 O6)

Compound Name

N-(4-methoxyphenyl)-3,5-dinitrobenzamide

IUPAC name

N-(4-methoxyphenyl)-35-dinitrobenzamide

SMILES

COc(cc1)ccc1NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C14H11N3O6/c1-23-13-4-2-10(3-5-13)15-14(18)9-6-11(16(19)20)8-12(7-9)17(21)22/h2-8H,1H3,(H,15,18)

InChI Key

MIOZEVVUBICFAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00398267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.26

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

2.968

Distribution Coefficient, logD

2.942

Water Solubility, LogSw

-3.70

Polar Surface Area

97.636

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2164-0687 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2164-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2164-0687?
Check Price and Availability of 2164-0687, 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 2164-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2164-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2164-0687
  • 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 2164-0687 available by request