C066-3185 Screening compound: 2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide

C066-3185 Screening compound: 2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
C066-3185 Screening compound: 2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3185
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide

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

C066-3185

Molecular Formula

C21H22N2O2S2 (C21 H22 N2 O2 S2)

Compound Name

2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide

IUPAC name

2-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)sulfanyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide

SMILES

CN(c(cccc1)c1C(SCC(NCCc(cc1)ccc1SC)=O)=C1)C1=O

InChI

InChI=1S/C21H22N2O2S2/c1-23-18-6-4-3-5-17(18)19(13-21(23)25)27-14-20(24)22-12-11-15-7-9-16(26-2)10-8-15/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)

InChI Key

ZNMWYWFLKZSXQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.75

Polar Surface Area

39.698

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C066-3185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3185?
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What is the minimum amount of C066-3185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3185
  • 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 C066-3185 available by request