K844-1394 Screening compound: 1-isobutyl-2-oxo-3-(1-pyridiniumyl)-1,2-dihydro-4-quinolinolate

K844-1394 Screening compound: 1-isobutyl-2-oxo-3-(1-pyridiniumyl)-1,2-dihydro-4-quinolinolate
K844-1394 Screening compound: 1-isobutyl-2-oxo-3-(1-pyridiniumyl)-1,2-dihydro-4-quinolinolate alternative view

Chemical Structure Depiction of ChemDiv screening compound K844-1394
1-isobutyl-2-oxo-3-(1-pyridiniumyl)-1,2-dihydro-4-quinolinolate

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

K844-1394

Molecular Formula

C18H18N2O2 (C18 H18 N2 O2)

Compound Name

1-isobutyl-2-oxo-3-(1-pyridiniumyl)-1,2-dihydro-4-quinolinolate

IUPAC name

1-[1-(2-methylpropyl)-4-oxido-2-oxo-12-dihydroquinolin-3-yl]-1lambda5-pyridin-1-ylium

SMILES

CC(C)CN(c(cccc1)c1C([O-])=C1[n+]2ccccc2)C1=O

InChI

InChI=1S/C18H18N2O2/c1-13(2)12-20-15-9-5-4-8-14(15)17(21)16(18(20)22)19-10-6-3-7-11-19/h3-11,13H,12H2,1-2H3

InChI Key

VCVMSXPINPKAGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.42

Polar Surface Area

33.569

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K844-1394 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with K844-1394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K844-1394?
Check Price and Availability of K844-1394, 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 K844-1394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K844-1394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K844-1394
  • 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 K844-1394 available by request