L834-0642 Screening compound: 4-ethyl-6-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

L834-0642 Screening compound: 4-ethyl-6-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
L834-0642 Screening compound: 4-ethyl-6-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L834-0642
4-ethyl-6-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

L834-0642

Molecular Formula

C22H21N3O4 (C22 H21 N3 O4)

Compound Name

4-ethyl-6-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-ethyl-6-{5-[1-(4-methoxyphenyl)cyclopropyl]-124-oxadiazol-3-yl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCN1c(cc(cc2)-c3noc(C4(CC4)c(cc4)ccc4OC)n3)c2OCC1=O

InChI

InChI=1S/C22H21N3O4/c1-3-25-17-12-14(4-9-18(17)28-13-19(25)26)20-23-21(29-24-20)22(10-11-22)15-5-7-16(27-2)8-6-15/h4-9,12H,3,10-11,13H2,1-2H3

InChI Key

GJFXTGXSEJNXNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.16

Polar Surface Area

63.266

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L834-0642 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L834-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-0642?
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What is the minimum amount of L834-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-0642
  • 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 L834-0642 available by request