L111-0333 Screening compound: 6-(ethanesulfonyl)-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0333 Screening compound: 6-(ethanesulfonyl)-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0333 Screening compound: 6-(ethanesulfonyl)-4-{[3-(thiophen-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 L111-0333
6-(ethanesulfonyl)-4-{[3-(thiophen-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

L111-0333

Molecular Formula

C17H15N3O5S2 (C17 H15 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCS(c(cc1)cc(N2Cc3nc(-c4cccs4)no3)c1OCC2=O)(=O)=O

InChI

InChI=1S/C17H15N3O5S2/c1-2-27(22,23)11-5-6-13-12(8-11)20(16(21)10-24-13)9-15-18-17(19-25-15)14-4-3-7-26-14/h3-8H,2,9-10H2,1H3

InChI Key

RIHMFFLPMJJAOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.173

Distribution Coefficient, logD

2.173

Water Solubility, LogSw

-2.82

Polar Surface Area

85.466

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with L111-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0333?
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What is the minimum amount of L111-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0333
  • 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 L111-0333 available by request