8126-1699 Screening compound: 2-(4-methylphenyl)-5-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3,4-oxadiazole

8126-1699 Screening compound: 2-(4-methylphenyl)-5-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3,4-oxadiazole
8126-1699 Screening compound: 2-(4-methylphenyl)-5-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8126-1699
2-(4-methylphenyl)-5-{[(naphthalen-1-yl)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

8126-1699

Molecular Formula

C20H16N2OS (C20 H16 N2 OS)

Compound Name

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

IUPAC name

2-(4-methylphenyl)-5-{[(naphthalen-1-yl)methyl]sulfanyl}-134-oxadiazole

SMILES

Cc(cc1)ccc1-c(o1)nnc1SCc1cccc2ccccc12

InChI

InChI=1S/C20H16N2OS/c1-14-9-11-16(12-10-14)19-21-22-20(23-19)24-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3

InChI Key

RUUVPUJXYAPIQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10465597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

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

5.335

Distribution Coefficient, logD

5.335

Water Solubility, LogSw

-6.41

Polar Surface Area

29.793

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8126-1699 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8126-1699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8126-1699?
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What is the minimum amount of 8126-1699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8126-1699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8126-1699
  • 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 8126-1699 available by request