L834-1042 Screening compound: 6-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

L834-1042 Screening compound: 6-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
L834-1042 Screening compound: 6-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L834-1042
6-{5-[2-(4-methoxybenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-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

L834-1042

Molecular Formula

C22H23N3O6S (C22 H23 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN1c(cc(cc2)-c3noc(CCS(c(cc4)ccc4OC)(=O)=O)n3)c2OCC1=O

InChI

InChI=1S/C22H23N3O6S/c1-3-11-25-18-13-15(4-9-19(18)30-14-21(25)26)22-23-20(31-24-22)10-12-32(27,28)17-7-5-16(29-2)6-8-17/h4-9,13H,3,10-12,14H2,1-2H3

InChI Key

ZMAOEJGNJUWNRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.53

Polar Surface Area

91.970

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L834-1042 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L834-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-1042?
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What is the minimum amount of L834-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-1042
  • 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 L834-1042 available by request