2137-0658 Screening compound: N-(3-methoxyphenyl)-3-nitrobenzamide

2137-0658 Screening compound: N-(3-methoxyphenyl)-3-nitrobenzamide
2137-0658 Screening compound: N-(3-methoxyphenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2137-0658
N-(3-methoxyphenyl)-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

2137-0658

Molecular Formula

C14H12N2O4 (C14 H12 N2 O4)

Compound Name

N-(3-methoxyphenyl)-3-nitrobenzamide

IUPAC name

N-(3-methoxyphenyl)-3-nitrobenzamide

SMILES

COc1cccc(NC(c2cccc([N+]([O-])=O)c2)=O)c1

InChI

InChI=1S/C14H12N2O4/c1-20-13-7-3-5-11(9-13)15-14(17)10-4-2-6-12(8-10)16(18)19/h2-9H,1H3,(H,15,17)

InChI Key

WBUAHBNREGYOCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00033972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.55

Polar Surface Area

64.255

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2137-0658 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

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 2137-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2137-0658?
Check Price and Availability of 2137-0658, 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 2137-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2137-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2137-0658
  • 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 2137-0658 available by request