M321-0414 Screening compound: 2-chloro-5-{3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine

M321-0414 Screening compound: 2-chloro-5-{3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine
M321-0414 Screening compound: 2-chloro-5-{3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound M321-0414
2-chloro-5-{3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine

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

M321-0414

Molecular Formula

C17H12ClN5O (C17 H12 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1nccc1-c1cccc(-c2noc(-c(cc3)cnc3Cl)n2)c1

InChI

InChI=1S/C17H12ClN5O/c1-23-14(7-8-20-23)11-3-2-4-12(9-11)16-21-17(24-22-16)13-5-6-15(18)19-10-13/h2-10H,1H3

InChI Key

XVSJCOYYCCAMGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.495

Water Solubility, LogSw

-3.83

Polar Surface Area

54.027

Acid Dissociation Constant (pKa)

32.28

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

M321-0414 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M321-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M321-0414?
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What is the minimum amount of M321-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M321-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M321-0414
  • 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 M321-0414 available by request