8104-09555 Screening compound: 4-(5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine

8104-09555 Screening compound: 4-(5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
8104-09555 Screening compound: 4-(5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-09555
4-(5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine

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

8104-09555

Molecular Formula

C14H10ClN3OS (C14 H10 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Clc1cc(CSc2nnc(-c3ccncc3)o2)ccc1

InChI

InChI=1S/C14H10ClN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2

InChI Key

ABBUKNGJXDJYGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08039572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.088

Distribution Coefficient, logD

3.088

Water Solubility, LogSw

-3.43

Polar Surface Area

39.492

Acid Dissociation Constant (pKa)

24.29

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8104-09555 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 8104-09555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-09555?
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What is the minimum amount of 8104-09555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-09555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-09555
  • 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 8104-09555 available by request