K784-1538 Screening compound: 3-(4-benzylpiperazine-1-carbonyl)-N-ethyl-N-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide

K784-1538 Screening compound: 3-(4-benzylpiperazine-1-carbonyl)-N-ethyl-N-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide
K784-1538 Screening compound: 3-(4-benzylpiperazine-1-carbonyl)-N-ethyl-N-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-1538
3-(4-benzylpiperazine-1-carbonyl)-N-ethyl-N-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide

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

K784-1538

Molecular Formula

C29H29FN4O4S (C29 H29 FN4 O4 S)

Compound Name

3-(4-benzylpiperazine-1-carbonyl)-N-ethyl-N-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide

IUPAC name

3-(4-benzylpiperazine-1-carbonyl)-N-ethyl-N-(4-fluorophenyl)-4-oxo-14-dihydroquinoline-6-sulfonamide

SMILES

CCN(c(cc1)ccc1F)S(c(cc1)cc2c1NC=C(C(N1CCN(Cc3ccccc3)CC1)=O)C2=O)(=O)=O

InChI

InChI=1S/C29H29FN4O4S/c1-2-34(23-10-8-22(30)9-11-23)39(37,38)24-12-13-27-25(18-24)28(35)26(19-31-27)29(36)33-16-14-32(15-17-33)20-21-6-4-3-5-7-21/h3-13,18-19H,2,14-17,20H2,1H3,(H,31,35)

InChI Key

AOOPOJSMBVQSJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-3.88

Polar Surface Area

76.097

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K784-1538 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K784-1538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-1538?
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What is the minimum amount of K784-1538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-1538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-1538
  • 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 K784-1538 available by request