L106-0055 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazole

L106-0055 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazole
L106-0055 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L106-0055
3-(2H-1,3-benzodioxol-5-yl)-5-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazole

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

L106-0055

Molecular Formula

C16H11FN2O5S (C16 H11 FN2 O5 S)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-5-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-[(4-fluorobenzenesulfonyl)methyl]-124-oxadiazole

SMILES

O=S(Cc1nc(-c(cc2)cc3c2OCO3)no1)(c(cc1)ccc1F)=O

InChI

InChI=1S/C16H11FN2O5S/c17-11-2-4-12(5-3-11)25(20,21)8-15-18-16(19-24-15)10-1-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2

InChI Key

JWSWJNVBKKKUAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.250

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-3.56

Polar Surface Area

77.462

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

-7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L106-0055 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L106-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L106-0055?
Check Price and Availability of L106-0055, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L106-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L106-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L106-0055
  • 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 L106-0055 available by request