L834-1057 Screening compound: 2-(4-chlorophenyl)-N-{[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

L834-1057 Screening compound: 2-(4-chlorophenyl)-N-{[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
L834-1057 Screening compound: 2-(4-chlorophenyl)-N-{[3-(3-oxo-4-propyl-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 L834-1057
2-(4-chlorophenyl)-N-{[3-(3-oxo-4-propyl-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

L834-1057

Molecular Formula

C22H21ClN4O4 (C22 H21 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCN1c(cc(cc2)-c3noc(CNC(Cc(cc4)ccc4Cl)=O)n3)c2OCC1=O

InChI

InChI=1S/C22H21ClN4O4/c1-2-9-27-17-11-15(5-8-18(17)30-13-21(27)29)22-25-20(31-26-22)12-24-19(28)10-14-3-6-16(23)7-4-14/h3-8,11H,2,9-10,12-13H2,1H3,(H,24,28)

InChI Key

VCWRVMWEOMLGEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-4.11

Polar Surface Area

79.861

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L834-1057 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 L834-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-1057?
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What is the minimum amount of L834-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-1057
  • 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 L834-1057 available by request