L111-0078 Screening compound: 7-chloro-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0078 Screening compound: 7-chloro-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0078 Screening compound: 7-chloro-4-{[3-(3-methoxyphenyl)-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 L111-0078
7-chloro-4-{[3-(3-methoxyphenyl)-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

L111-0078

Molecular Formula

C18H14ClN3O4 (C18 H14 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-c2noc(CN3c(ccc(Cl)c4)c4OCC3=O)n2)c1

InChI

InChI=1S/C18H14ClN3O4/c1-24-13-4-2-3-11(7-13)18-20-16(26-21-18)9-22-14-6-5-12(19)8-15(14)25-10-17(22)23/h2-8H,9-10H2,1H3

InChI Key

GMRGDKQTJLQSGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-4.57

Polar Surface Area

62.955

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

-5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L111-0078 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 L111-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0078?
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What is the minimum amount of L111-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0078
  • 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 L111-0078 available by request