8622-1119 Screening compound: 3-{5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl}pyridine

8622-1119 Screening compound: 3-{5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl}pyridine
8622-1119 Screening compound: 3-{5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8622-1119
3-{5-[1-(4-chloro-3-methylphenoxy)ethyl]-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

8622-1119

Molecular Formula

C16H14ClN3O2 (C16 H14 ClN3 O2)

Compound Name

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

IUPAC name

3-{5-[1-(4-chloro-3-methylphenoxy)ethyl]-124-oxadiazol-3-yl}pyridine

SMILES

CC(c1nc(-c2cnccc2)no1)Oc(cc1)cc(C)c1Cl

InChI

InChI=1S/C16H14ClN3O2/c1-10-8-13(5-6-14(10)17)21-11(2)16-19-15(20-22-16)12-4-3-7-18-9-12/h3-9,11H,1-2H3/t11-/m0/s1

InChI Key

QPRYLJNNKJFJEL-NSHDSACASA-N

MDL Number (MFCD)

MFCD07361789

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

4.496

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.67

Polar Surface Area

47.951

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

8622-1119 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8622-1119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8622-1119?
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What is the minimum amount of 8622-1119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8622-1119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8622-1119
  • 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 8622-1119 available by request