M321-0626 Screening compound: 2-chloro-4-{3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine

M321-0626 Screening compound: 2-chloro-4-{3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine
M321-0626 Screening compound: 2-chloro-4-{3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound M321-0626
2-chloro-4-{3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-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

M321-0626

Molecular Formula

C18H14ClN5O (C18 H14 ClN5 O)

Compound Name

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

IUPAC name

2-chloro-4-{3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-124-oxadiazol-5-yl}pyridine

SMILES

CCn1nccc1-c1cccc(-c2noc(-c3cc(Cl)ncc3)n2)c1

InChI

InChI=1S/C18H14ClN5O/c1-2-24-15(7-9-21-24)12-4-3-5-13(10-12)17-22-18(25-23-17)14-6-8-20-16(19)11-14/h3-11H,2H2,1H3

InChI Key

POYKOYZYNBYGBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.42

Polar Surface Area

53.376

Acid Dissociation Constant (pKa)

29.54

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

M321-0626 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with M321-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M321-0626?
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What is the minimum amount of M321-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M321-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M321-0626
  • 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 M321-0626 available by request