8016-3440 Screening compound: 4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}benzonitrile

8016-3440 Screening compound: 4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}benzonitrile
8016-3440 Screening compound: 4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3440
4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}benzonitrile

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

8016-3440

Molecular Formula

C14H9N3O2S (C14 H9 N3 O2 S)

Compound Name

4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methoxy}benzonitrile

IUPAC name

4-{[3-(thiophen-2-yl)-124-oxadiazol-5-yl]methoxy}benzonitrile

SMILES

N#Cc(cc1)ccc1OCc1nc(-c2cccs2)no1

InChI

InChI=1S/C14H9N3O2S/c15-8-10-3-5-11(6-4-10)18-9-13-16-14(17-19-13)12-2-1-7-20-12/h1-7H,9H2

InChI Key

NHPGAJLLVWUPNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-3.48

Polar Surface Area

56.884

Acid Dissociation Constant (pKa)

31.37

Base Dissociation Constant (pKb)

-5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 8016-3440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3440?
Check Price and Availability of 8016-3440, 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 8016-3440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3440
  • 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 8016-3440 available by request