L111-0290 Screening compound: 6-tert-butyl-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0290 Screening compound: 6-tert-butyl-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0290 Screening compound: 6-tert-butyl-4-{[3-(4-methylphenyl)-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 L111-0290
6-tert-butyl-4-{[3-(4-methylphenyl)-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

L111-0290

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)cc(N2Cc3nc(-c4ccc(C)cc4)no3)c1OCC2=O

InChI

InChI=1S/C22H23N3O3/c1-14-5-7-15(8-6-14)21-23-19(28-24-21)12-25-17-11-16(22(2,3)4)9-10-18(17)27-13-20(25)26/h5-11H,12-13H2,1-4H3

InChI Key

QMPLJTHGYNBNKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

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

5.101

Distribution Coefficient, logD

5.101

Water Solubility, LogSw

-4.97

Polar Surface Area

55.411

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L111-0290 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 L111-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0290?
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What is the minimum amount of L111-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0290
  • 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 L111-0290 available by request