M321-0656 Screening compound: 3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazole

M321-0656 Screening compound: 3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazole
M321-0656 Screening compound: 3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M321-0656
3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-(4-methoxy-2-methylphenyl)-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

M321-0656

Molecular Formula

C21H20N4O2 (C21 H20 N4 O2)

Compound Name

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

IUPAC name

3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-5-(4-methoxy-2-methylphenyl)-124-oxadiazole

SMILES

CCn1nccc1-c1cccc(-c2noc(-c(cc3)c(C)cc3OC)n2)c1

InChI

InChI=1S/C21H20N4O2/c1-4-25-19(10-11-22-25)15-6-5-7-16(13-15)20-23-21(27-24-20)18-9-8-17(26-3)12-14(18)2/h5-13H,4H2,1-3H3

InChI Key

XTDBQINTXRUZTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.843

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.75

Polar Surface Area

52.005

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M321-0656 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M321-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M321-0656?
Check Price and Availability of M321-0656, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M321-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M321-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M321-0656
  • 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 M321-0656 available by request