M411-0776 Screening compound: {3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidino}[2-(methylsulfanyl)-3-pyridyl]methanone

M411-0776 Screening compound: {3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidino}[2-(methylsulfanyl)-3-pyridyl]methanone
M411-0776 Screening compound: {3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidino}[2-(methylsulfanyl)-3-pyridyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M411-0776
{3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidino}[2-(methylsulfanyl)-3-pyridyl]methanone

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

M411-0776

Molecular Formula

C20H19FN4O2S (C20 H19 FN4 O2 S)

Compound Name

{3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidino}[2-(methylsulfanyl)-3-pyridyl]methanone

IUPAC name

3-{3-[5-(3-fluorophenyl)-124-oxadiazol-3-yl]piperidine-1-carbonyl}-2-(methylsulfanyl)pyridine

SMILES

CSc1ncccc1C(N(CCC1)CC1c1noc(-c2cc(F)ccc2)n1)=O

InChI

InChI=1S/C20H19FN4O2S/c1-28-19-16(8-3-9-22-19)20(26)25-10-4-6-14(12-25)17-23-18(27-24-17)13-5-2-7-15(21)11-13/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3/t14-/m0/s1

InChI Key

NYIFOXCEAOXTJD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27540330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.73

Polar Surface Area

57.405

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

M411-0776 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M411-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M411-0776?
Check Price and Availability of M411-0776, 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 M411-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M411-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M411-0776
  • 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 M411-0776 available by request