M338-0495 Screening compound: 3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

M338-0495 Screening compound: 3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
M338-0495 Screening compound: 3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M338-0495
3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

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

M338-0495

Molecular Formula

C21H21N5O6S (C21 H21 N5 O6 S)

Compound Name

3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-(4-ethyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

CCN1c(ccc(-c2noc(C(NCCc(cc3)ccc3S(N)(=O)=O)=O)n2)c2)c2OCC1=O

InChI

InChI=1S/C21H21N5O6S/c1-2-26-16-8-5-14(11-17(16)31-12-18(26)27)19-24-21(32-25-19)20(28)23-10-9-13-3-6-15(7-4-13)33(22,29)30/h3-8,11H,2,9-10,12H2,1H3,(H,23,28)(H2,22,29,30)

InChI Key

KPHNTCWIXOINCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.49

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.942

Distribution Coefficient, logD

0.941

Water Solubility, LogSw

-2.43

Polar Surface Area

130.600

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M338-0495 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M338-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M338-0495?
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What is the minimum amount of M338-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M338-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M338-0495
  • 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 M338-0495 available by request