8393-0641 Screening compound: 2-({[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

8393-0641 Screening compound: 2-({[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile
8393-0641 Screening compound: 2-({[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8393-0641
2-({[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)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

8393-0641

Molecular Formula

C17H13N3O2S (C17 H13 N3 O2 S)

Compound Name

2-({[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

IUPAC name

2-({[5-(2-methoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

SMILES

COc(cccc1)c1-c(o1)nnc1SCc(cccc1)c1C#N

InChI

InChI=1S/C17H13N3O2S/c1-21-15-9-5-4-8-14(15)16-19-20-17(22-16)23-11-13-7-3-2-6-12(13)10-18/h2-9H,11H2,1H3

InChI Key

ORWFKFICSXOUST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08677544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-3.41

Polar Surface Area

54.751

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8393-0641 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8393-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8393-0641?
Check Price and Availability of 8393-0641, 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 8393-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8393-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8393-0641
  • 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 8393-0641 available by request