M321-0535 Screening compound: N-({3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-methylbenzamide

M321-0535 Screening compound: N-({3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-methylbenzamide
M321-0535 Screening compound: N-({3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M321-0535
N-({3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-methylbenzamide

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

M321-0535

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

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

IUPAC name

N-({3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-124-oxadiazol-5-yl}methyl)-4-methylbenzamide

SMILES

CCn1nccc1-c1cccc(-c2noc(CNC(c3ccc(C)cc3)=O)n2)c1

InChI

InChI=1S/C22H21N5O2/c1-3-27-19(11-12-24-27)17-5-4-6-18(13-17)21-25-20(29-26-21)14-23-22(28)16-9-7-15(2)8-10-16/h4-13H,3,14H2,1-2H3,(H,23,28)

InChI Key

BPTGIAXBXGUMLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.15

Polar Surface Area

68.812

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M321-0535 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M321-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M321-0535?
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What is the minimum amount of M321-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M321-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M321-0535
  • 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 M321-0535 available by request