0785-0117 Screening compound: bis(4-methylphenyl)-1,3,4-oxadiazole

0785-0117 Screening compound: bis(4-methylphenyl)-1,3,4-oxadiazole
0785-0117 Screening compound: bis(4-methylphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0785-0117
bis(4-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

0785-0117

Molecular Formula

C16H14N2O (C16 H14 N2 O)

Compound Name

bis(4-methylphenyl)-1,3,4-oxadiazole

IUPAC name

bis(4-methylphenyl)-134-oxadiazole

SMILES

Cc(cc1)ccc1-c1nnc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C16H14N2O/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChI Key

XYCVDMCFWPHYNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00187732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.310

Distribution Coefficient, logD

4.310

Water Solubility, LogSw

-4.35

Polar Surface Area

30.483

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0785-0117 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 0785-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0785-0117?
Check Price and Availability of 0785-0117, 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 0785-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0785-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0785-0117
  • 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 0785-0117 available by request