8451-08251 Screening compound: 2-({[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

8451-08251 Screening compound: 2-({[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile
8451-08251 Screening compound: 2-({[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-08251
2-({[5-(4-bromophenyl)-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

8451-08251

Molecular Formula

C16H10BrN3OS (C16 H10 BrN3 OS)

Compound Name

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

IUPAC name

2-({[5-(4-bromophenyl)-134-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

SMILES

N#Cc1c(CSc2nnc(-c(cc3)ccc3Br)o2)cccc1

InChI

InChI=1S/C16H10BrN3OS/c17-14-7-5-11(6-8-14)15-19-20-16(21-15)22-10-13-4-2-1-3-12(13)9-18/h1-8H,10H2

InChI Key

VQHRQCOKBWETJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09343586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.318

Distribution Coefficient, logD

4.318

Water Solubility, LogSw

-4.56

Polar Surface Area

47.120

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8451-08251 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 8451-08251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-08251?
Check Price and Availability of 8451-08251, 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 8451-08251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-08251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-08251
  • 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 8451-08251 available by request