M321-0558 Screening compound: 5-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole

M321-0558 Screening compound: 5-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
M321-0558 Screening compound: 5-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M321-0558
5-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-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

M321-0558

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

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

IUPAC name

5-[(34-dimethoxyphenyl)methyl]-3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-124-oxadiazole

SMILES

CCn1nccc1-c1cccc(-c2noc(Cc(cc3)cc(OC)c3OC)n2)c1

InChI

InChI=1S/C22H22N4O3/c1-4-26-18(10-11-23-26)16-6-5-7-17(14-16)22-24-21(29-25-22)13-15-8-9-19(27-2)20(12-15)28-3/h5-12,14H,4,13H2,1-3H3

InChI Key

CUBQQYOJMMRECR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-4.43

Polar Surface Area

59.388

Acid Dissociation Constant (pKa)

28.96

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M321-0558 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with M321-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M321-0558?
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What is the minimum amount of M321-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M321-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M321-0558
  • 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 M321-0558 available by request