8622-0599 Screening compound: 4-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

8622-0599 Screening compound: 4-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
8622-0599 Screening compound: 4-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8622-0599
4-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-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

8622-0599

Molecular Formula

C16H14ClN3O2 (C16 H14 ClN3 O2)

Compound Name

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

IUPAC name

4-{5-[(4-chloro-35-dimethylphenoxy)methyl]-124-oxadiazol-3-yl}pyridine

SMILES

Cc1cc(OCc2nc(-c3ccncc3)no2)cc(C)c1Cl

InChI

InChI=1S/C16H14ClN3O2/c1-10-7-13(8-11(2)15(10)17)21-9-14-19-16(20-22-14)12-3-5-18-6-4-12/h3-8H,9H2,1-2H3

InChI Key

XVSWJBRMACOBTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03287196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.389

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.68

Polar Surface Area

48.237

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8622-0599 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 8622-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8622-0599?
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What is the minimum amount of 8622-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8622-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8622-0599
  • 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 8622-0599 available by request