L822-0688 Screening compound: 3-[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylbenzenesulfonyl)piperidine

L822-0688 Screening compound: 3-[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylbenzenesulfonyl)piperidine
L822-0688 Screening compound: 3-[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylbenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L822-0688
3-[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylbenzenesulfonyl)piperidine

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

L822-0688

Molecular Formula

C24H25N3O5S (C24 H25 N3 O5 S)

Compound Name

3-[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylbenzenesulfonyl)piperidine

IUPAC name

3-[3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-124-oxadiazol-5-yl]-1-(4-methylbenzenesulfonyl)piperidine

SMILES

Cc1c(-c2noc(C(CCC3)CN3S(c3ccc(C)cc3)(=O)=O)n2)oc(cc2)c1cc2OC

InChI

InChI=1S/C24H25N3O5S/c1-15-6-9-19(10-7-15)33(28,29)27-12-4-5-17(14-27)24-25-23(26-32-24)22-16(2)20-13-18(30-3)8-11-21(20)31-22/h6-11,13,17H,4-5,12,14H2,1-3H3/t17-/m0/s1

InChI Key

GPRKLOGFJPOCFZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27477538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

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

5.502

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.50

Polar Surface Area

79.358

Acid Dissociation Constant (pKa)

26.11

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

L822-0688 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L822-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L822-0688?
Check Price and Availability of L822-0688, 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 L822-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L822-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L822-0688
  • 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 L822-0688 available by request