M321-0654 Screening compound: 3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-[2-(3-methoxyphenyl)ethyl]-1,2,4-oxadiazole

M321-0654 Screening compound: 3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-[2-(3-methoxyphenyl)ethyl]-1,2,4-oxadiazole
M321-0654 Screening compound: 3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-[2-(3-methoxyphenyl)ethyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M321-0654
3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-[2-(3-methoxyphenyl)ethyl]-1,2,4-oxadiazole

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

M321-0654

Molecular Formula

C22H22N4O2 (C22 H22 N4 O2)

Compound Name

3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-[2-(3-methoxyphenyl)ethyl]-1,2,4-oxadiazole

IUPAC name

3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-[2-(3-methoxyphenyl)ethyl]-124-oxadiazole

SMILES

CCn1nccc1-c1cccc(-c2noc(CCc3cc(OC)ccc3)n2)c1

InChI

InChI=1S/C22H22N4O2/c1-3-26-20(12-13-23-26)17-7-5-8-18(15-17)22-24-21(28-25-22)11-10-16-6-4-9-19(14-16)27-2/h4-9,12-15H,3,10-11H2,1-2H3

InChI Key

VTEIWKIVYNBZDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.053

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-4.79

Polar Surface Area

51.671

Acid Dissociation Constant (pKa)

26.13

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M321-0654 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M321-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M321-0654?
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What is the minimum amount of M321-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M321-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M321-0654
  • 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 M321-0654 available by request