M082-0592 Screening compound: (2E)-1-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one

M082-0592 Screening compound: (2E)-1-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one
M082-0592 Screening compound: (2E)-1-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M082-0592
(2E)-1-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one

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

M082-0592

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

(2E)-1-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one

IUPAC name

(2E)-1-(4-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}piperidin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one

SMILES

Cc1ccc(/C=C/C(N2CCC(Cc3nc(-c(cc4)ccc4OC)no3)CC2)=O)cc1

InChI

InChI=1S/C25H27N3O3/c1-18-3-5-19(6-4-18)7-12-24(29)28-15-13-20(14-16-28)17-23-26-25(27-31-23)21-8-10-22(30-2)11-9-21/h3-12,20H,13-17H2,1-2H3

InChI Key

LQTPKSOLNVHAEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.522

Distribution Coefficient, logD

5.522

Water Solubility, LogSw

-5.51

Polar Surface Area

54.975

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M082-0592 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M082-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M082-0592?
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What is the minimum amount of M082-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M082-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M082-0592
  • 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 M082-0592 available by request