L822-0813 Screening compound: 3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazole

L822-0813 Screening compound: 3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazole
L822-0813 Screening compound: 3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L822-0813
3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-5-[1-(4-methoxyphenyl)cyclopropyl]-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

L822-0813

Molecular Formula

C22H20N2O4 (C22 H20 N2 O4)

Compound Name

3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazole

IUPAC name

3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-5-[1-(4-methoxyphenyl)cyclopropyl]-124-oxadiazole

SMILES

Cc1c(-c2noc(C3(CC3)c(cc3)ccc3OC)n2)oc(cc2)c1cc2OC

InChI

InChI=1S/C22H20N2O4/c1-13-17-12-16(26-3)8-9-18(17)27-19(13)20-23-21(28-24-20)22(10-11-22)14-4-6-15(25-2)7-5-14/h4-9,12H,10-11H2,1-3H3

InChI Key

FQRRWXXVHHWLDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27477609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.182

Distribution Coefficient, logD

5.182

Water Solubility, LogSw

-5.28

Polar Surface Area

55.509

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L822-0813 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

KRAS-Targeted Library (16000 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L822-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L822-0813?
Check Price and Availability of L822-0813, 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 L822-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L822-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L822-0813
  • 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 L822-0813 available by request