M338-0392 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide

M338-0392 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
M338-0392 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M338-0392
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-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

M338-0392

Molecular Formula

C21H18N4O6 (C21 H18 N4 O6)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(4-ethyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)-124-oxadiazole-5-carboxamide

SMILES

CCN1c(ccc(-c2noc(C(NCc(cc3)cc4c3OCO4)=O)n2)c2)c2OCC1=O

InChI

InChI=1S/C21H18N4O6/c1-2-25-14-5-4-13(8-16(14)28-10-18(25)26)19-23-21(31-24-19)20(27)22-9-12-3-6-15-17(7-12)30-11-29-15/h3-8H,2,9-11H2,1H3,(H,22,27)

InChI Key

ZPAJDNNNVXKHCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.561

Distribution Coefficient, logD

2.561

Water Solubility, LogSw

-2.97

Polar Surface Area

97.271

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M338-0392 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M338-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M338-0392?
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What is the minimum amount of M338-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M338-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M338-0392
  • 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 M338-0392 available by request