0945-0085 Screening compound: 1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium

0945-0085 Screening compound: 1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium
0945-0085 Screening compound: 1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0945-0085
1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium

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

0945-0085

Molecular Formula

C13H11N2O3 (C13 H11 N2 O3)

Compound Name

1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium

IUPAC name

1-[2-(4-nitrophenyl)-2-oxoethyl]pyridin-1-ium

SMILES

[O-][N+](c(cc1)ccc1C(C[n+]1ccccc1)=O)=O

InChI

InChI=1S/C13H11N2O3/c16-13(10-14-8-2-1-3-9-14)11-4-6-12(7-5-11)15(17)18/h1-9H,10H2/q+1

InChI Key

RMVNRJQZZSUJMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01002964

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

243.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.776

Distribution Coefficient, logD

1.776

Water Solubility, LogSw

-2.22

Polar Surface Area

49.659

Acid Dissociation Constant (pKa)

18.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 0945-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0945-0085?
Check Price and Availability of 0945-0085, 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 0945-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0945-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0945-0085
  • 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 0945-0085 available by request