2968-0128 Screening compound: 3-carbamoyl-1-(2-hydroxyethyl)pyridin-1-ium

2968-0128 Screening compound: 3-carbamoyl-1-(2-hydroxyethyl)pyridin-1-ium
2968-0128 Screening compound: 3-carbamoyl-1-(2-hydroxyethyl)pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2968-0128
3-carbamoyl-1-(2-hydroxyethyl)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

2968-0128

Molecular Formula

C8H11N2O2 (C8 H11 N2 O2)

Compound Name

3-carbamoyl-1-(2-hydroxyethyl)pyridin-1-ium

IUPAC name

3-carbamoyl-1-(2-hydroxyethyl)pyridin-1-ium

SMILES

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

InChI

InChI=1S/C8H10N2O2/c9-8(12)7-2-1-3-10(6-7)4-5-11/h1-3,6,11H,4-5H2,(H-,9,12)/p+1

InChI Key

BSLCTFNGYUSKJX-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

167.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.686

Distribution Coefficient, logD

-0.686

Water Solubility, LogSw

-0.67

Polar Surface Area

53.888

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

2968-0128 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2968-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2968-0128?
Check Price and Availability of 2968-0128, 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 2968-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2968-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2968-0128
  • 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 2968-0128 available by request