S339-0972 Screening compound: N,N-dimethyl-4-(4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)aniline

S339-0972 Screening compound: N,N-dimethyl-4-(4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)aniline
S339-0972 Screening compound: N,N-dimethyl-4-(4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound S339-0972
N,N-dimethyl-4-(4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)aniline

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

S339-0972

Molecular Formula

C21H24N6O2 (C21 H24 N6 O2)

Compound Name

N,N-dimethyl-4-(4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)aniline

IUPAC name

NN-dimethyl-4-(4-{[3-(pyrazin-2-yl)-124-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)aniline

SMILES

CN(C)c(cc1)ccc1C(N1CCC(Cc2nc(-c3nccnc3)no2)CC1)=O

InChI

InChI=1S/C21H24N6O2/c1-26(2)17-5-3-16(4-6-17)21(28)27-11-7-15(8-12-27)13-19-24-20(25-29-19)18-14-22-9-10-23-18/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3

InChI Key

PYJSHCFSTRLKFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.369

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-2.18

Polar Surface Area

69.329

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S339-0972 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Ion Channels Focused Library (26372 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S339-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S339-0972?
Check Price and Availability of S339-0972, 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 S339-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S339-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S339-0972
  • 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 S339-0972 available by request