C072-0164 Screening compound: N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide

C072-0164 Screening compound: N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
C072-0164 Screening compound: N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C072-0164
N-(3-ethoxypropyl)-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

C072-0164

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide

IUPAC name

N-(3-ethoxypropyl)-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide

SMILES

CCOCCCNC(c1cc(Sc2ccc(C)cc2)nc2ccccc12)=O

InChI

InChI=1S/C22H24N2O2S/c1-3-26-14-6-13-23-22(25)19-15-21(24-20-8-5-4-7-18(19)20)27-17-11-9-16(2)10-12-17/h4-5,7-12,15H,3,6,13-14H2,1-2H3,(H,23,25)

InChI Key

DOZWJQYOXMRMTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-5.38

Polar Surface Area

40.162

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C072-0164 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

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 C072-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C072-0164?
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What is the minimum amount of C072-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C072-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C072-0164
  • 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 C072-0164 available by request