C072-0020 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chlorophenyl)sulfanyl]quinoline-4-carboxamide

C072-0020 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chlorophenyl)sulfanyl]quinoline-4-carboxamide
C072-0020 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chlorophenyl)sulfanyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C072-0020
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-chlorophenyl)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

C072-0020

Molecular Formula

C24H17ClN2O3S (C24 H17 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(Sc(cccc2)c2Cl)nc2ccccc12)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H17ClN2O3S/c25-18-6-2-4-8-22(18)31-23-12-17(16-5-1-3-7-19(16)27-23)24(28)26-13-15-9-10-20-21(11-15)30-14-29-20/h1-12H,13-14H2,(H,26,28)

InChI Key

KPSVAUKIWDENQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.93

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

5.915

Distribution Coefficient, logD

5.915

Water Solubility, LogSw

-6.12

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

8.30

C072-0020 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 C072-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C072-0020?
Check Price and Availability of C072-0020, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C072-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C072-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C072-0020
  • 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 C072-0020 available by request