L111-0063 Screening compound: 7-chloro-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0063 Screening compound: 7-chloro-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0063 Screening compound: 7-chloro-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 L111-0063
7-chloro-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

L111-0063

Molecular Formula

C15H10ClN3O3S (C15 H10 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc2nc(-c3cccs3)no2)c(ccc(Cl)c2)c2OC1

InChI

InChI=1S/C15H10ClN3O3S/c16-9-3-4-10-11(6-9)21-8-14(20)19(10)7-13-17-15(18-22-13)12-2-1-5-23-12/h1-6H,7-8H2

InChI Key

DMRSCHKSHPBCLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.622

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.91

Polar Surface Area

56.430

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

-6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

L111-0063 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L111-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0063?
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What is the minimum amount of L111-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0063
  • 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 L111-0063 available by request