L822-0829 Screening compound: 5-[(1E)-2-(furan-2-yl)ethenyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

L822-0829 Screening compound: 5-[(1E)-2-(furan-2-yl)ethenyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
L822-0829 Screening compound: 5-[(1E)-2-(furan-2-yl)ethenyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L822-0829
5-[(1E)-2-(furan-2-yl)ethenyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-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

L822-0829

Molecular Formula

C18H14N2O4 (C18 H14 N2 O4)

Compound Name

5-[(1E)-2-(furan-2-yl)ethenyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

IUPAC name

5-[(1E)-2-(furan-2-yl)ethenyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-124-oxadiazole

SMILES

Cc1c(-c2noc(/C=C/c3ccco3)n2)oc(cc2)c1cc2OC

InChI

InChI=1S/C18H14N2O4/c1-11-14-10-13(21-2)5-7-15(14)23-17(11)18-19-16(24-20-18)8-6-12-4-3-9-22-12/h3-10H,1-2H3

InChI Key

NQABLCCCIBIYKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27477619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

4.861

Water Solubility, LogSw

-4.81

Polar Surface Area

55.128

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

-7.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

L822-0829 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L822-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L822-0829?
Check Price and Availability of L822-0829, 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 L822-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L822-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L822-0829
  • 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 L822-0829 available by request