L472-0954 Screening compound: 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

L472-0954 Screening compound: 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
L472-0954 Screening compound: 5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L472-0954
5-cyclobutyl-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

L472-0954

Molecular Formula

C17H17N3OS (C17 H17 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc1nc(-c(cc2)ccc2-c2noc(C3CCC3)n2)cs1

InChI

InChI=1S/C17H17N3OS/c1-2-15-18-14(10-22-15)11-6-8-12(9-7-11)16-19-17(21-20-16)13-4-3-5-13/h6-10,13H,2-5H2,1H3

InChI Key

VQAFZJKBXUAAFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.31

Polar Surface Area

42.397

Acid Dissociation Constant (pKa)

26.82

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

L472-0954 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L472-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L472-0954?
Check Price and Availability of L472-0954, 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 L472-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L472-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L472-0954
  • 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 L472-0954 available by request