2137-0664 Screening compound: N-(naphthalen-1-yl)-3-nitrobenzamide

2137-0664 Screening compound: N-(naphthalen-1-yl)-3-nitrobenzamide
2137-0664 Screening compound: N-(naphthalen-1-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2137-0664
N-(naphthalen-1-yl)-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

2137-0664

Molecular Formula

C17H12N2O3 (C17 H12 N2 O3)

Compound Name

N-(naphthalen-1-yl)-3-nitrobenzamide

IUPAC name

N-(naphthalen-1-yl)-3-nitrobenzamide

SMILES

[O-][N+](c1cc(C(Nc2cccc3ccccc23)=O)ccc1)=O

InChI

InChI=1S/C17H12N2O3/c20-17(13-7-3-8-14(11-13)19(21)22)18-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,18,20)

InChI Key

VLEMJYHTAUXVMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.734

Distribution Coefficient, logD

3.729

Water Solubility, LogSw

-4.23

Polar Surface Area

55.742

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2137-0664 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2137-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2137-0664?
Check Price and Availability of 2137-0664, 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 2137-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2137-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2137-0664
  • 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 2137-0664 available by request