C072-0136 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide

C072-0136 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
C072-0136 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C072-0136
N-[(2-chlorophenyl)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

C072-0136

Molecular Formula

C24H19ClN2OS (C24 H19 ClN2 OS)

Compound Name

N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide

SMILES

Cc(cc1)ccc1Sc1nc2ccccc2c(C(NCc(cccc2)c2Cl)=O)c1

InChI

InChI=1S/C24H19ClN2OS/c1-16-10-12-18(13-11-16)29-23-14-20(19-7-3-5-9-22(19)27-23)24(28)26-15-17-6-2-4-8-21(17)25/h2-14H,15H2,1H3,(H,26,28)

InChI Key

ZVNDYHTWXDRXOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.074

Distribution Coefficient, logD

7.074

Water Solubility, LogSw

-6.30

Polar Surface Area

32.072

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C072-0136 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C072-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C072-0136?
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What is the minimum amount of C072-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C072-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C072-0136
  • 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 C072-0136 available by request