L111-0421 Screening compound: 4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0421 Screening compound: 4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0421 Screening compound: 4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L111-0421
4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-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

L111-0421

Molecular Formula

C20H19N3O3 (C20 H19 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1-c1noc(CN2c(cccc3)c3OC(C)C2=O)n1

InChI

InChI=1S/C20H19N3O3/c1-3-14-8-10-15(11-9-14)19-21-18(26-22-19)12-23-16-6-4-5-7-17(16)25-13(2)20(23)24/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1

InChI Key

VOZHBZSLAQVWCB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD11999591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.40

Polar Surface Area

54.415

Acid Dissociation Constant (pKa)

18.14

Base Dissociation Constant (pKb)

-6.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

L111-0421 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 L111-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0421?
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What is the minimum amount of L111-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0421
  • 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 L111-0421 available by request