CM2897-6041 Screening compound: 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-azetanyl methyl sulfone

CM2897-6041 Screening compound: 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-azetanyl methyl sulfone
CM2897-6041 Screening compound: 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-azetanyl methyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2897-6041
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-azetanyl methyl sulfone

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

CM2897-6041

Molecular Formula

C13H15N3O3S (C13 H15 N3 O3 S)

Compound Name

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-azetanyl methyl sulfone

IUPAC name

3-benzyl-5-(1-methanesulfonylazetidin-3-yl)-124-oxadiazole

SMILES

CS(N(C1)CC1c1nc(Cc2ccccc2)no1)(=O)=O

InChI

InChI=1S/C13H15N3O3S/c1-20(17,18)16-8-11(9-16)13-14-12(15-19-13)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3

InChI Key

HGFYHVLWVUKEGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.757

Distribution Coefficient, logD

1.757

Water Solubility, LogSw

-2.13

Polar Surface Area

64.308

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

CM2897-6041 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with CM2897-6041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2897-6041?
Check Price and Availability of CM2897-6041, 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 CM2897-6041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2897-6041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2897-6041
  • 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 CM2897-6041 available by request