M338-0668 Screening compound: N-[(2-chlorophenyl)methyl]-3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide

M338-0668 Screening compound: N-[(2-chlorophenyl)methyl]-3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
M338-0668 Screening compound: N-[(2-chlorophenyl)methyl]-3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M338-0668
N-[(2-chlorophenyl)methyl]-3-(3-oxo-4-propyl-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

M338-0668

Molecular Formula

C21H19ClN4O4 (C21 H19 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCN1c(ccc(-c2noc(C(NCc(cccc3)c3Cl)=O)n2)c2)c2OCC1=O

InChI

InChI=1S/C21H19ClN4O4/c1-2-9-26-16-8-7-13(10-17(16)29-12-18(26)27)19-24-21(30-25-19)20(28)23-11-14-5-3-4-6-15(14)22/h3-8,10H,2,9,11-12H2,1H3,(H,23,28)

InChI Key

KSRKJLQDARXZTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

3.841

Water Solubility, LogSw

-4.34

Polar Surface Area

80.409

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M338-0668 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 M338-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M338-0668?
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What is the minimum amount of M338-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M338-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M338-0668
  • 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 M338-0668 available by request