C066-5287 Screening compound: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol

C066-5287 Screening compound: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol
C066-5287 Screening compound: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5287
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol

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

C066-5287

Molecular Formula

C11H12N2O3S (C11 H12 N2 O3 S)

Compound Name

[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol

IUPAC name

[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methanethiol

SMILES

COc(ccc(-c1noc(CS)n1)c1)c1OC

InChI

InChI=1S/C11H12N2O3S/c1-14-8-4-3-7(5-9(8)15-2)11-12-10(6-17)16-13-11/h3-5,17H,6H2,1-2H3

InChI Key

POMRLUBEKYKYJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13881333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.644

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-2.85

Polar Surface Area

46.842

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C066-5287 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C066-5287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5287?
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What is the minimum amount of C066-5287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5287
  • 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 C066-5287 available by request