L472-0961 Screening compound: 5-[(3,4-dimethoxyphenyl)methyl]-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

L472-0961 Screening compound: 5-[(3,4-dimethoxyphenyl)methyl]-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
L472-0961 Screening compound: 5-[(3,4-dimethoxyphenyl)methyl]-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L472-0961
5-[(3,4-dimethoxyphenyl)methyl]-3-[4-(2-ethyl-1,3-thiazol-4-yl)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

L472-0961

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

5-[(3,4-dimethoxyphenyl)methyl]-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-[(34-dimethoxyphenyl)methyl]-3-[4-(2-ethyl-13-thiazol-4-yl)phenyl]-124-oxadiazole

SMILES

CCc1nc(-c(cc2)ccc2-c2noc(Cc(cc3)cc(OC)c3OC)n2)cs1

InChI

InChI=1S/C22H21N3O3S/c1-4-21-23-17(13-29-21)15-6-8-16(9-7-15)22-24-20(28-25-22)12-14-5-10-18(26-2)19(11-14)27-3/h5-11,13H,4,12H2,1-3H3

InChI Key

YTFMOXTUCCTLFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.638

Distribution Coefficient, logD

5.638

Water Solubility, LogSw

-5.59

Polar Surface Area

56.800

Acid Dissociation Constant (pKa)

28.96

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L472-0961 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L472-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L472-0961?
Check Price and Availability of L472-0961, 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 L472-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L472-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L472-0961
  • 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 L472-0961 available by request