K844-0806 Screening compound: N-benzyl-1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide

K844-0806 Screening compound: N-benzyl-1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
K844-0806 Screening compound: N-benzyl-1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K844-0806
N-benzyl-1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide

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

K844-0806

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

N-benzyl-1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide

IUPAC name

N-benzyl-1-butyl-4-hydroxy-2-oxo-12-dihydroquinoline-3-carboxamide

SMILES

CCCCN(c(cccc1)c1C(O)=C1C(NCc2ccccc2)=O)C1=O

InChI

InChI=1S/C21H22N2O3/c1-2-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14-15-9-5-4-6-10-15/h4-12,24H,2-3,13-14H2,1H3,(H,22,25)

InChI Key

SUHCRFALJQHHDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00616668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

0.819

Water Solubility, LogSw

-3.50

Polar Surface Area

55.075

Acid Dissociation Constant (pKa)

5.28

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K844-0806 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K844-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K844-0806?
Check Price and Availability of K844-0806, 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 K844-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K844-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K844-0806
  • 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 K844-0806 available by request