C548-3804 Screening compound: N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C548-3804 Screening compound: N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C548-3804 Screening compound: N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3804
N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-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

C548-3804

Molecular Formula

C24H30N4O4S (C24 H30 N4 O4 S)

Compound Name

N-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

N-{2-[4-(25-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2-oxo-1234-tetrahydroquinoline-6-sulfonamide

SMILES

Cc1cc(N(CC2)CCN2C(CN(C)S(c(cc2)cc(CC3)c2NC3=O)(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C24H30N4O4S/c1-17-4-5-18(2)22(14-17)27-10-12-28(13-11-27)24(30)16-26(3)33(31,32)20-7-8-21-19(15-20)6-9-23(29)25-21/h4-5,7-8,14-15H,6,9-13,16H2,1-3H3,(H,25,29)

InChI Key

QATKGFXOTQCIEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.627

Distribution Coefficient, logD

2.626

Water Solubility, LogSw

-3.14

Polar Surface Area

76.975

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C548-3804 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C548-3804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3804?
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What is the minimum amount of C548-3804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3804
  • 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 C548-3804 available by request