5618-4605 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-1,3,4-oxadiazole

5618-4605 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-1,3,4-oxadiazole
5618-4605 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-4605
2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-1,3,4-oxadiazole

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

5618-4605

Molecular Formula

C16H13FN2OS (C16 H13 FN2 OS)

Compound Name

2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-1,3,4-oxadiazole

IUPAC name

2-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-134-oxadiazole

SMILES

Cc(cccc1)c1-c(o1)nnc1SCc(cc1)ccc1F

InChI

InChI=1S/C16H13FN2OS/c1-11-4-2-3-5-14(11)15-18-19-16(20-15)21-10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3

InChI Key

OYUKMLIKYHZZBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03048687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.69

Polar Surface Area

30.064

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

5618-4605 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Receptors Annotated Library (5376 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5618-4605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-4605?
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What is the minimum amount of 5618-4605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-4605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-4605
  • 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 5618-4605 available by request