L834-0544 Screening compound: 2-(4-chlorophenyl)-N-{[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

L834-0544 Screening compound: 2-(4-chlorophenyl)-N-{[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
L834-0544 Screening compound: 2-(4-chlorophenyl)-N-{[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L834-0544
2-(4-chlorophenyl)-N-{[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

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

L834-0544

Molecular Formula

C21H19ClN4O4 (C21 H19 ClN4 O4)

Compound Name

2-(4-chlorophenyl)-N-{[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

IUPAC name

2-(4-chlorophenyl)-N-{[3-(4-ethyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-124-oxadiazol-5-yl]methyl}acetamide

SMILES

CCN1c(cc(cc2)-c3noc(CNC(Cc(cc4)ccc4Cl)=O)n3)c2OCC1=O

InChI

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

InChI Key

IXCYOEJEUQJPCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478858

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

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.60

Polar Surface Area

79.607

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L834-0544 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L834-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-0544?
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What is the minimum amount of L834-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-0544
  • 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 L834-0544 available by request