C066-5313 Screening compound: 2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

C066-5313 Screening compound: 2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one
C066-5313 Screening compound: 2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5313
2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

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

C066-5313

Molecular Formula

C24H28N4O5S (C24 H28 N4 O5 S)

Compound Name

2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-({[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(CSCc1nc(-c(cc2)cc(OC)c2OC)no1)=O

InChI

InChI=1S/C24H28N4O5S/c1-30-19-7-5-4-6-18(19)27-10-12-28(13-11-27)23(29)16-34-15-22-25-24(26-33-22)17-8-9-20(31-2)21(14-17)32-3/h4-9,14H,10-13,15-16H2,1-3H3

InChI Key

OVJRGVKYNLVSIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-4.00

Polar Surface Area

73.553

Acid Dissociation Constant (pKa)

24.19

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C066-5313 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-5313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5313?
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What is the minimum amount of C066-5313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5313
  • 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 C066-5313 available by request