L111-0367 Screening compound: 6-(ethanesulfonyl)-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0367 Screening compound: 6-(ethanesulfonyl)-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0367 Screening compound: 6-(ethanesulfonyl)-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L111-0367
6-(ethanesulfonyl)-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-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

L111-0367

Molecular Formula

C21H21N3O5S (C21 H21 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1-c1noc(CN2c(cc(cc3)S(CC)(=O)=O)c3OCC2=O)n1

InChI

InChI=1S/C21H21N3O5S/c1-3-14-5-7-15(8-6-14)21-22-19(29-23-21)12-24-17-11-16(30(26,27)4-2)9-10-18(17)28-13-20(24)25/h5-11H,3-4,12-13H2,1-2H3

InChI Key

NRSJVZFESUDGLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-3.93

Polar Surface Area

84.448

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L111-0367 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L111-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0367?
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What is the minimum amount of L111-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0367
  • 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 L111-0367 available by request