8104-09556 Screening compound: 3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

8104-09556 Screening compound: 3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile
8104-09556 Screening compound: 3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-09556
3-({[5-(pyridin-4-yl)-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

8104-09556

Molecular Formula

C15H10N4OS (C15 H10 N4 OS)

Compound Name

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

IUPAC name

3-({[5-(pyridin-4-yl)-134-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile

SMILES

N#Cc1cccc(CSc2nnc(-c3ccncc3)o2)c1

InChI

InChI=1S/C15H10N4OS/c16-9-11-2-1-3-12(8-11)10-21-15-19-18-14(20-15)13-4-6-17-7-5-13/h1-8H,10H2

InChI Key

KKLMFZMFRKVZFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08864744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.007

Distribution Coefficient, logD

2.007

Water Solubility, LogSw

-1.85

Polar Surface Area

56.549

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8104-09556 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8104-09556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-09556?
Check Price and Availability of 8104-09556, 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 8104-09556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-09556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-09556
  • 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 8104-09556 available by request