L834-0547 Screening compound: N-{[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenylacetamide

L834-0547 Screening compound: N-{[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenylacetamide
L834-0547 Screening compound: N-{[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L834-0547
N-{[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenylacetamide

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

L834-0547

Molecular Formula

C27H24N4O4 (C27 H24 N4 O4)

Compound Name

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

IUPAC name

N-{[3-(4-ethyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-124-oxadiazol-5-yl]methyl}-22-diphenylacetamide

SMILES

CCN1c(cc(cc2)-c3noc(CNC(C(c4ccccc4)c4ccccc4)=O)n3)c2OCC1=O

InChI

InChI=1S/C27H24N4O4/c1-2-31-21-15-20(13-14-22(21)34-17-24(31)32)26-29-23(35-30-26)16-28-27(33)25(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,25H,2,16-17H2,1H3,(H,28,33)

InChI Key

VDMZBBACTBJQSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

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

4.105

Distribution Coefficient, logD

4.105

Water Solubility, LogSw

-4.29

Polar Surface Area

79.549

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

L834-0547 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)

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 L834-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-0547?
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What is the minimum amount of L834-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-0547
  • 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 L834-0547 available by request