0986-0022 Screening compound: 3-(phenylcarbamoyl)-1-[(phenylcarbamoyl)methyl]pyridin-1-ium

0986-0022 Screening compound: 3-(phenylcarbamoyl)-1-[(phenylcarbamoyl)methyl]pyridin-1-ium
0986-0022 Screening compound: 3-(phenylcarbamoyl)-1-[(phenylcarbamoyl)methyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0986-0022
3-(phenylcarbamoyl)-1-[(phenylcarbamoyl)methyl]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

0986-0022

Molecular Formula

C20H18N3O2 (C20 H18 N3 O2)

Compound Name

3-(phenylcarbamoyl)-1-[(phenylcarbamoyl)methyl]pyridin-1-ium

IUPAC name

3-(phenylcarbamoyl)-1-[(phenylcarbamoyl)methyl]pyridin-1-ium

SMILES

O=C(C[n+]1cccc(C(Nc2ccccc2)=O)c1)Nc1ccccc1

InChI

InChI=1S/C20H17N3O2/c24-19(21-17-9-3-1-4-10-17)15-23-13-7-8-16(14-23)20(25)22-18-11-5-2-6-12-18/h1-14H,15H2,(H-,21,22,24,25)/p+1

InChI Key

WTNTXPHPSUNMPF-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD01023798

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-3.24

Polar Surface Area

49.165

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

0986-0022 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 0986-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0986-0022?
Check Price and Availability of 0986-0022, 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 0986-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0986-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0986-0022
  • 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 0986-0022 available by request