M336-0869 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide

M336-0869 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide
M336-0869 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M336-0869
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide

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

M336-0869

Molecular Formula

C22H22FN3O3S (C22 H22 FN3 O3 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]benzene-1-sulfonamide

SMILES

O=S(c(cccc1)c1-c1nc(-c(cc2)ccc2F)no1)(NCCC1=CCCCC1)=O

InChI

InChI=1S/C22H22FN3O3S/c23-18-12-10-17(11-13-18)21-25-22(29-26-21)19-8-4-5-9-20(19)30(27,28)24-15-14-16-6-2-1-3-7-16/h4-6,8-13,24H,1-3,7,14-15H2

InChI Key

NWRWXCRBJGPQEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.243

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.37

Polar Surface Area

73.436

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

M336-0869 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M336-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M336-0869?
Check Price and Availability of M336-0869, 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 M336-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M336-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M336-0869
  • 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 M336-0869 available by request