K828-0711 Screening compound: N-(2,2-dimethoxyethyl)-6-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

K828-0711 Screening compound: N-(2,2-dimethoxyethyl)-6-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
K828-0711 Screening compound: N-(2,2-dimethoxyethyl)-6-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K828-0711
N-(2,2-dimethoxyethyl)-6-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-1,4-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

K828-0711

Molecular Formula

C19H26N4O6S (C19 H26 N4 O6 S)

Compound Name

N-(2,2-dimethoxyethyl)-6-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-(22-dimethoxyethyl)-6-[(4-methylpiperazin-1-yl)sulfonyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CN(CC1)CCN1S(c(cc1)cc2c1NC=C(C(NCC(OC)OC)=O)C2=O)(=O)=O

InChI

InChI=1S/C19H26N4O6S/c1-22-6-8-23(9-7-22)30(26,27)13-4-5-16-14(10-13)18(24)15(11-20-16)19(25)21-12-17(28-2)29-3/h4-5,10-11,17H,6-9,12H2,1-3H3,(H,20,24)(H,21,25)

InChI Key

CMULGEGSXUISEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.469

Distribution Coefficient, logD

-1.959

Water Solubility, LogSw

-2.51

Polar Surface Area

99.725

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

K828-0711 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K828-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K828-0711?
Check Price and Availability of K828-0711, 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 K828-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K828-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K828-0711
  • 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 K828-0711 available by request