8104-10630 Screening compound: 2-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazole

8104-10630 Screening compound: 2-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazole
8104-10630 Screening compound: 2-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-10630
2-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-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

8104-10630

Molecular Formula

C17H16N2OS (C17 H16 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(o1)nnc1SCc1c(C)cccc1

InChI

InChI=1S/C17H16N2OS/c1-12-7-9-14(10-8-12)16-18-19-17(20-16)21-11-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3

InChI Key

KRIWZFCWFWDOJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09870455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.39

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

4.906

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-4.67

Polar Surface Area

30.064

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8104-10630 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8104-10630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-10630?
Check Price and Availability of 8104-10630, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8104-10630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-10630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-10630
  • 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 8104-10630 available by request