0986-0026 Screening compound: 1-(1-{[1,1'-biphenyl]-4-yl}-1-oxopropan-2-yl)-3-methylpyridin-1-ium

0986-0026 Screening compound: 1-(1-{[1,1'-biphenyl]-4-yl}-1-oxopropan-2-yl)-3-methylpyridin-1-ium
0986-0026 Screening compound: 1-(1-{[1,1'-biphenyl]-4-yl}-1-oxopropan-2-yl)-3-methylpyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0986-0026
1-(1-{[1,1'-biphenyl]-4-yl}-1-oxopropan-2-yl)-3-methylpyridin-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

0986-0026

Molecular Formula

C21H20NO (C21 H20 NO)

Compound Name

1-(1-{[1,1'-biphenyl]-4-yl}-1-oxopropan-2-yl)-3-methylpyridin-1-ium

IUPAC name

1-(1-{[11'-biphenyl]-4-yl}-1-oxopropan-2-yl)-3-methylpyridin-1-ium

SMILES

CC(C(c(cc1)ccc1-c1ccccc1)=O)[n+]1cc(C)ccc1

InChI

InChI=1S/C21H20NO/c1-16-7-6-14-22(15-16)17(2)21(23)20-12-10-19(11-13-20)18-8-4-3-5-9-18/h3-15,17H,1-2H3/q+1/t17-/m0/s1

InChI Key

VZJMOBOCJKRZFP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01023801

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

302.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.706

Distribution Coefficient, logD

4.706

Water Solubility, LogSw

-4.36

Polar Surface Area

16.518

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

0986-0026 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 0986-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0986-0026?
Check Price and Availability of 0986-0026, 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 0986-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0986-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0986-0026
  • 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 0986-0026 available by request