M338-0147 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide

M338-0147 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
M338-0147 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methyl-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 M338-0147
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methyl-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

M338-0147

Molecular Formula

C19H23N5O4 (C19 H23 N5 O4)

Compound Name

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

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)-124-oxadiazole-5-carboxamide

SMILES

CCN1C(CNC(c2nc(-c(cc3)cc(OC4)c3N(C)C4=O)no2)=O)CCC1

InChI

InChI=1S/C19H23N5O4/c1-3-24-8-4-5-13(24)10-20-18(26)19-21-17(22-28-19)12-6-7-14-15(9-12)27-11-16(25)23(14)2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,20,26)/t13-/m1/s1

InChI Key

ANHQSSVKNXWJPV-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27537285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.176

Distribution Coefficient, logD

0.088

Water Solubility, LogSw

-2.26

Polar Surface Area

84.103

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

M338-0147 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M338-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M338-0147?
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What is the minimum amount of M338-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M338-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M338-0147
  • 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 M338-0147 available by request