M338-0747 Screening compound: 3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[(oxolan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

M338-0747 Screening compound: 3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[(oxolan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
M338-0747 Screening compound: 3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[(oxolan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M338-0747
3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[(oxolan-2-yl)methyl]-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

M338-0747

Molecular Formula

C19H22N4O5 (C19 H22 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCN1c(ccc(-c2noc(C(NCC3OCCC3)=O)n2)c2)c2OCC1=O

InChI

InChI=1S/C19H22N4O5/c1-2-7-23-14-6-5-12(9-15(14)27-11-16(23)24)17-21-19(28-22-17)18(25)20-10-13-4-3-8-26-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,20,25)/t13-/m1/s1

InChI Key

WGUOQSMJEOHDHT-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27537362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.609

Distribution Coefficient, logD

1.609

Water Solubility, LogSw

-2.19

Polar Surface Area

89.063

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

M338-0747 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M338-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M338-0747?
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What is the minimum amount of M338-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M338-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M338-0747
  • 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 M338-0747 available by request