C548-3888 Screening compound: N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C548-3888 Screening compound: N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C548-3888 Screening compound: N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]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 C548-3888
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]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

C548-3888

Molecular Formula

C24H28N4O6S (C24 H28 N4 O6 S)

Compound Name

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

IUPAC name

N-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1234-tetrahydroquinoline-6-sulfonamide

SMILES

CN(CC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C24H28N4O6S/c1-26(35(31,32)19-4-5-20-18(13-19)3-7-23(29)25-20)15-24(30)28-10-8-27(9-11-28)14-17-2-6-21-22(12-17)34-16-33-21/h2,4-6,12-13H,3,7-11,14-16H2,1H3,(H,25,29)

InChI Key

XDPHUSVQXYKTOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.021

Distribution Coefficient, logD

0.828

Water Solubility, LogSw

-2.62

Polar Surface Area

94.672

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C548-3888 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C548-3888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3888?
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What is the minimum amount of C548-3888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3888
  • 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 C548-3888 available by request