C072-0147 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide

C072-0147 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
C072-0147 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C072-0147
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-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

C072-0147

Molecular Formula

C25H20N2O3S (C25 H20 N2 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide

SMILES

Cc(cc1)ccc1Sc1nc2ccccc2c(C(NCc(cc2)cc3c2OCO3)=O)c1

InChI

InChI=1S/C25H20N2O3S/c1-16-6-9-18(10-7-16)31-24-13-20(19-4-2-3-5-21(19)27-24)25(28)26-14-17-8-11-22-23(12-17)30-15-29-22/h2-13H,14-15H2,1H3,(H,26,28)

InChI Key

YPXPMKRRXRBLHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.205

Distribution Coefficient, logD

6.205

Water Solubility, LogSw

-5.63

Polar Surface Area

49.187

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C072-0147 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C072-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C072-0147?
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What is the minimum amount of C072-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C072-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C072-0147
  • 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 C072-0147 available by request