L111-0168 Screening compound: 7-methyl-4-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0168 Screening compound: 7-methyl-4-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0168 Screening compound: 7-methyl-4-{[3-(pyridin-2-yl)-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 L111-0168
7-methyl-4-{[3-(pyridin-2-yl)-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

L111-0168

Molecular Formula

C17H14N4O3 (C17 H14 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(OC2)c1N(Cc1nc(-c3ncccc3)no1)C2=O

InChI

InChI=1S/C17H14N4O3/c1-11-5-6-13-14(8-11)23-10-16(22)21(13)9-15-19-17(20-24-15)12-4-2-3-7-18-12/h2-8H,9-10H2,1H3

InChI Key

BFVANBQKQDJAMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.217

Distribution Coefficient, logD

2.217

Water Solubility, LogSw

-2.63

Polar Surface Area

64.459

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

L111-0168 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L111-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0168?
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What is the minimum amount of L111-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0168
  • 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 L111-0168 available by request