S211-0091 Screening compound: 4-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carbonyl}benzonitrile

S211-0091 Screening compound: 4-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carbonyl}benzonitrile
S211-0091 Screening compound: 4-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S211-0091
4-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]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

S211-0091

Molecular Formula

C17H18N4O3 (C17 H18 N4 O3)

Compound Name

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

IUPAC name

4-{4-[(3-methyl-124-oxadiazol-5-yl)methoxy]piperidine-1-carbonyl}benzonitrile

SMILES

Cc1noc(COC(CC2)CCN2C(c(cc2)ccc2C#N)=O)n1

InChI

InChI=1S/C17H18N4O3/c1-12-19-16(24-20-12)11-23-15-6-8-21(9-7-15)17(22)14-4-2-13(10-18)3-5-14/h2-5,15H,6-9,11H2,1H3

InChI Key

FMENZQSUSFNEFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

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

0.920

Distribution Coefficient, logD

0.920

Water Solubility, LogSw

-1.53

Polar Surface Area

71.912

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

S211-0091 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S211-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S211-0091?
Check Price and Availability of S211-0091, 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 S211-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S211-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S211-0091
  • 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 S211-0091 available by request