M321-0445 Screening compound: 3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazole

M321-0445 Screening compound: 3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazole
M321-0445 Screening compound: 3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M321-0445
3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-5-[(1E)-2-(thiophen-2-yl)ethenyl]-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

M321-0445

Molecular Formula

C18H14N4OS (C18 H14 N4 OS)

Compound Name

3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazole

IUPAC name

3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-5-[(1E)-2-(thiophen-2-yl)ethenyl]-124-oxadiazole

SMILES

Cn1nccc1-c1cccc(-c2noc(/C=C/c3cccs3)n2)c1

InChI

InChI=1S/C18H14N4OS/c1-22-16(9-10-19-22)13-4-2-5-14(12-13)18-20-17(23-21-18)8-7-15-6-3-11-24-15/h2-12H,1H3

InChI Key

FHSOHXNVAMTWLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.299

Water Solubility, LogSw

-4.58

Polar Surface Area

45.707

Acid Dissociation Constant (pKa)

32.28

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

M321-0445 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M321-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M321-0445?
Check Price and Availability of M321-0445, 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 M321-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M321-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M321-0445
  • 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 M321-0445 available by request