2216-0037 Screening compound: naphthalen-1-yl 4-chloro-3-nitrobenzoate

2216-0037 Screening compound: naphthalen-1-yl 4-chloro-3-nitrobenzoate
2216-0037 Screening compound: naphthalen-1-yl 4-chloro-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2216-0037
naphthalen-1-yl 4-chloro-3-nitrobenzoate

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

2216-0037

Molecular Formula

C17H10ClNO4 (C17 H10 ClNO4)

Compound Name

naphthalen-1-yl 4-chloro-3-nitrobenzoate

IUPAC name

naphthalen-1-yl 4-chloro-3-nitrobenzoate

SMILES

[O-][N+](c(cc(cc1)C(Oc2cccc3ccccc23)=O)c1Cl)=O

InChI

InChI=1S/C17H10ClNO4/c18-14-9-8-12(10-15(14)19(21)22)17(20)23-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H

InChI Key

MCKJVLDNOWRHHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01004911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.649

Distribution Coefficient, logD

4.649

Water Solubility, LogSw

-5.32

Polar Surface Area

53.512

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2216-0037 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2216-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2216-0037?
Check Price and Availability of 2216-0037, 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 2216-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2216-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2216-0037
  • 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 2216-0037 available by request