C548-3969 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

C548-3969 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
C548-3969 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3969
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

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

C548-3969

Molecular Formula

C24H31N3O6S (C24 H31 N3 O6 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(N-methyl2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-(N-methyl2-oxo-1234-tetrahydroquinoline-6-sulfonamido)acetamide

SMILES

CCOc(ccc(CCNC(CN(C)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O)=O)c1)c1OCC

InChI

InChI=1S/C24H31N3O6S/c1-4-32-21-10-6-17(14-22(21)33-5-2)12-13-25-24(29)16-27(3)34(30,31)19-8-9-20-18(15-19)7-11-23(28)26-20/h6,8-10,14-15H,4-5,7,11-13,16H2,1-3H3,(H,25,29)(H,26,28)

InChI Key

YEGRLNPUYRCAGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.245

Distribution Coefficient, logD

1.244

Water Solubility, LogSw

-2.60

Polar Surface Area

96.357

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C548-3969 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C548-3969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3969?
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What is the minimum amount of C548-3969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3969
  • 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 C548-3969 available by request