L111-0346 Screening compound: 4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0346 Screening compound: 4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0346 Screening compound: 4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L111-0346
4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-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

L111-0346

Molecular Formula

C19H16ClN3O5S (C19 H16 ClN3 O5 S)

Compound Name

4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-{[3-(3-chlorophenyl)-124-oxadiazol-5-yl]methyl}-6-(ethanesulfonyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCS(c(cc1)cc(N2Cc3nc(-c4cccc(Cl)c4)no3)c1OCC2=O)(=O)=O

InChI

InChI=1S/C19H16ClN3O5S/c1-2-29(25,26)14-6-7-16-15(9-14)23(18(24)11-27-16)10-17-21-19(22-28-17)12-4-3-5-13(20)8-12/h3-9H,2,10-11H2,1H3

InChI Key

LKILYOVGEBHUPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.46

Polar Surface Area

84.448

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

L111-0346 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L111-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0346?
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What is the minimum amount of L111-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0346
  • 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 L111-0346 available by request