2216-0064 Screening compound: 3-methyl-N-(naphthalen-1-yl)-4-nitrobenzamide

2216-0064 Screening compound: 3-methyl-N-(naphthalen-1-yl)-4-nitrobenzamide
2216-0064 Screening compound: 3-methyl-N-(naphthalen-1-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2216-0064
3-methyl-N-(naphthalen-1-yl)-4-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

2216-0064

Molecular Formula

C18H14N2O3 (C18 H14 N2 O3)

Compound Name

3-methyl-N-(naphthalen-1-yl)-4-nitrobenzamide

IUPAC name

3-methyl-N-(naphthalen-1-yl)-4-nitrobenzamide

SMILES

Cc(cc(cc1)C(Nc2cccc3ccccc23)=O)c1[N+]([O-])=O

InChI

InChI=1S/C18H14N2O3/c1-12-11-14(9-10-17(12)20(22)23)18(21)19-16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3,(H,19,21)

InChI Key

LIDLCSXXPAMXPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00606457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

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

4.206

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-4.50

Polar Surface Area

55.441

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

2216-0064 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2216-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2216-0064?
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What is the minimum amount of 2216-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2216-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2216-0064
  • 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 2216-0064 available by request