C614-6096 Screening compound: 3-carbamoylpyridin-1-ium-1-olate

C614-6096 Screening compound: 3-carbamoylpyridin-1-ium-1-olate
C614-6096 Screening compound: 3-carbamoylpyridin-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6096
3-carbamoylpyridin-1-ium-1-olate

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

C614-6096

Molecular Formula

C6H6N2O2 (C6 H6 N2 O2)

Compound Name

3-carbamoylpyridin-1-ium-1-olate

IUPAC name

3-carbamoylpyridin-1-ium-1-olate

SMILES

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

InChI

InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)

InChI Key

USSFUVKEHXDAPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00006202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

138.13

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.637

Distribution Coefficient, logD

-0.637

Water Solubility, LogSw

-0.73

Polar Surface Area

54.504

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C614-6096 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C614-6096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6096?
Check Price and Availability of C614-6096, 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 C614-6096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6096
  • 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 C614-6096 available by request