1147-0009 Screening compound: 1-(2-nitro-1-benzothiophen-3-yl)pyridinium

1147-0009 Screening compound: 1-(2-nitro-1-benzothiophen-3-yl)pyridinium
1147-0009 Screening compound: 1-(2-nitro-1-benzothiophen-3-yl)pyridinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1147-0009
1-(2-nitro-1-benzothiophen-3-yl)pyridinium

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

1147-0009

Molecular Formula

C13H9N2O2S (C13 H9 N2 O2 S)

Compound Name

1-(2-nitro-1-benzothiophen-3-yl)pyridinium

IUPAC name

1-(2-nitro-1-benzothiophen-3-yl)-1lambda5-pyridin-1-ylium

SMILES

[O-][N+](c(sc1c2cccc1)c2-[n+]1ccccc1)=O

InChI

InChI=1S/C13H9N2O2S/c16-15(17)13-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)18-13/h1-9H/q+1

InChI Key

ZVCTYYFYKIXDAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01078040

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

257.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.34

Polar Surface Area

36.783

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1147-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1147-0009?
Check Price and Availability of 1147-0009, 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 1147-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1147-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1147-0009
  • 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 1147-0009 available by request