L106-0451 Screening compound: 5-[(4-bromobenzenesulfonyl)methyl]-3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazole

L106-0451 Screening compound: 5-[(4-bromobenzenesulfonyl)methyl]-3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazole
L106-0451 Screening compound: 5-[(4-bromobenzenesulfonyl)methyl]-3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L106-0451
5-[(4-bromobenzenesulfonyl)methyl]-3-[4-(propan-2-yloxy)phenyl]-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

L106-0451

Molecular Formula

C18H17BrN2O4S (C18 H17 BrN2 O4 S)

Compound Name

5-[(4-bromobenzenesulfonyl)methyl]-3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazole

IUPAC name

5-[(4-bromobenzenesulfonyl)methyl]-3-[4-(propan-2-yloxy)phenyl]-124-oxadiazole

SMILES

CC(C)Oc(cc1)ccc1-c1noc(CS(c(cc2)ccc2Br)(=O)=O)n1

InChI

InChI=1S/C18H17BrN2O4S/c1-12(2)24-15-7-3-13(4-8-15)18-20-17(25-21-18)11-26(22,23)16-9-5-14(19)6-10-16/h3-10,12H,11H2,1-2H3

InChI Key

TZIDEIDQSAQBMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.801

Distribution Coefficient, logD

4.801

Water Solubility, LogSw

-4.57

Polar Surface Area

67.149

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

-8.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

L106-0451 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L106-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L106-0451?
Check Price and Availability of L106-0451, 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 L106-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L106-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L106-0451
  • 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 L106-0451 available by request