0688-0752 Screening compound: 1-benzyl-3-carbamoylpyridin-1-ium

0688-0752 Screening compound: 1-benzyl-3-carbamoylpyridin-1-ium
0688-0752 Screening compound: 1-benzyl-3-carbamoylpyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0688-0752
1-benzyl-3-carbamoylpyridin-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

0688-0752

Molecular Formula

C13H13N2O (C13 H13 N2 O)

Compound Name

1-benzyl-3-carbamoylpyridin-1-ium

IUPAC name

1-benzyl-3-carbamoylpyridin-1-ium

SMILES

NC(c1c[n+](Cc2ccccc2)ccc1)=O

InChI

InChI=1S/C13H12N2O/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H-,14,16)/p+1

InChI Key

GPBSRPLIMMWMQS-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

213.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.446

Distribution Coefficient, logD

1.446

Water Solubility, LogSw

-1.51

Polar Surface Area

36.983

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 0688-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0688-0752?
Check Price and Availability of 0688-0752, 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 0688-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0688-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0688-0752
  • 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 0688-0752 available by request