C385-0046 Screening compound: 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1,4-dihydroquinoline-3-carboxamide

C385-0046 Screening compound: 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1,4-dihydroquinoline-3-carboxamide
C385-0046 Screening compound: 6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C385-0046
6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-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

C385-0046

Molecular Formula

C25H23N3O5S (C25 H23 N3 O5 S)

Compound Name

6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1,4-dihydroquinoline-3-carboxamide

IUPAC name

6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-14-dihydroquinoline-3-carboxamide

SMILES

COc1cccc(NS(c(cc2)cc3c2NC=C(C(NCCc2ccccc2)=O)C3=O)(=O)=O)c1

InChI

InChI=1S/C25H23N3O5S/c1-33-19-9-5-8-18(14-19)28-34(31,32)20-10-11-23-21(15-20)24(29)22(16-27-23)25(30)26-13-12-17-6-3-2-4-7-17/h2-11,14-16,28H,12-13H2,1H3,(H,26,30)(H,27,29)

InChI Key

YXZGBIWAHHBKMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.128

Distribution Coefficient, logD

2.067

Water Solubility, LogSw

-3.71

Polar Surface Area

96.806

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C385-0046 in Drug Discovery

Included in Screening Libraries

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 C385-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C385-0046?
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What is the minimum amount of C385-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C385-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C385-0046
  • 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 C385-0046 available by request