L111-0126 Screening compound: 6-chloro-4-{[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0126 Screening compound: 6-chloro-4-{[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0126 Screening compound: 6-chloro-4-{[3-(2,3-dimethoxyphenyl)-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 L111-0126
6-chloro-4-{[3-(2,3-dimethoxyphenyl)-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

L111-0126

Molecular Formula

C19H16ClN3O5 (C19 H16 ClN3 O5)

Compound Name

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

IUPAC name

6-chloro-4-{[3-(23-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

COc1cccc(-c2noc(CN3c(cc(cc4)Cl)c4OCC3=O)n2)c1OC

InChI

InChI=1S/C19H16ClN3O5/c1-25-15-5-3-4-12(18(15)26-2)19-21-16(28-22-19)9-23-13-8-11(20)6-7-14(13)27-10-17(23)24/h3-8H,9-10H2,1-2H3

InChI Key

XXVPOOGYHZCUGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.54

Polar Surface Area

70.759

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

-5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

L111-0126 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 L111-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0126?
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What is the minimum amount of L111-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0126
  • 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 L111-0126 available by request