L111-0335 Screening compound: 6-(ethanesulfonyl)-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0335 Screening compound: 6-(ethanesulfonyl)-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0335 Screening compound: 6-(ethanesulfonyl)-4-{[3-(4-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 L111-0335
6-(ethanesulfonyl)-4-{[3-(4-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

L111-0335

Molecular Formula

C20H19N3O6S (C20 H19 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCS(c(cc1)cc(N2Cc3nc(-c(cc4)ccc4OC)no3)c1OCC2=O)(=O)=O

InChI

InChI=1S/C20H19N3O6S/c1-3-30(25,26)15-8-9-17-16(10-15)23(19(24)12-28-17)11-18-21-20(22-29-18)13-4-6-14(27-2)7-5-13/h4-10H,3,11-12H2,1-2H3

InChI Key

KNEGXQOZUQRSIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.494

Distribution Coefficient, logD

2.494

Water Solubility, LogSw

-3.00

Polar Surface Area

91.991

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L111-0335 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with L111-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0335?
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What is the minimum amount of L111-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0335
  • 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 L111-0335 available by request