M355-0081 Screening compound: 6-{5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

M355-0081 Screening compound: 6-{5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
M355-0081 Screening compound: 6-{5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M355-0081
6-{5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-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

M355-0081

Molecular Formula

C20H17N3O5 (C20 H17 N3 O5)

Compound Name

6-{5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-{5-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-124-oxadiazol-3-yl}-3-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(ccc(-c1noc(/C=C/c(cc2)cc(OC)c2OC)n1)c1)c1O1)C1=O

InChI

InChI=1S/C20H17N3O5/c1-23-14-7-6-13(11-16(14)27-20(23)24)19-21-18(28-22-19)9-5-12-4-8-15(25-2)17(10-12)26-3/h4-11H,1-3H3

InChI Key

AXFQAEDHOIYMBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.008

Distribution Coefficient, logD

4.008

Water Solubility, LogSw

-4.43

Polar Surface Area

69.437

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M355-0081 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M355-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M355-0081?
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What is the minimum amount of M355-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M355-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M355-0081
  • 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 M355-0081 available by request