M321-0401 Screening compound: 3-{3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzonitrile

M321-0401 Screening compound: 3-{3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzonitrile
M321-0401 Screening compound: 3-{3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M321-0401
3-{3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzonitrile

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

M321-0401

Molecular Formula

C19H13N5O (C19 H13 N5 O)

Compound Name

3-{3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzonitrile

IUPAC name

3-{3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-124-oxadiazol-5-yl}benzonitrile

SMILES

Cn1nccc1-c1cccc(-c2noc(-c3cc(C#N)ccc3)n2)c1

InChI

InChI=1S/C19H13N5O/c1-24-17(8-9-21-24)14-5-3-6-15(11-14)18-22-19(25-23-18)16-7-2-4-13(10-16)12-20/h2-11H,1H3

InChI Key

JSDBWLHOOLJSQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.35

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

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-3.91

Polar Surface Area

62.079

Acid Dissociation Constant (pKa)

32.28

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

M321-0401 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M321-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M321-0401?
Check Price and Availability of M321-0401, 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 M321-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M321-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M321-0401
  • 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 M321-0401 available by request