M411-1380 Screening compound: 3-{3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl}benzonitrile

M411-1380 Screening compound: 3-{3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl}benzonitrile
M411-1380 Screening compound: 3-{3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M411-1380
3-{3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl}benzonitrile

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

M411-1380

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

3-{3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl}benzonitrile

IUPAC name

3-{3-[5-(2-methoxyphenyl)-124-oxadiazol-3-yl]piperidine-1-carbonyl}benzonitrile

SMILES

COc(cccc1)c1-c1nc(C(CCC2)CN2C(c2cc(C#N)ccc2)=O)no1

InChI

InChI=1S/C22H20N4O3/c1-28-19-10-3-2-9-18(19)21-24-20(25-29-21)17-8-5-11-26(14-17)22(27)16-7-4-6-15(12-16)13-23/h2-4,6-7,9-10,12,17H,5,8,11,14H2,1H3/t17-/m0/s1

InChI Key

UOSFUXOLXHYITL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27540367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.905

Distribution Coefficient, logD

2.905

Water Solubility, LogSw

-3.38

Polar Surface Area

72.913

Acid Dissociation Constant (pKa)

26.96

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

M411-1380 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M411-1380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M411-1380?
Check Price and Availability of M411-1380, 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 M411-1380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M411-1380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M411-1380
  • 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 M411-1380 available by request