S426-0996 Screening compound: 3-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}-N-(3-methylbutyl)piperidine-1-carboxamide

S426-0996 Screening compound: 3-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}-N-(3-methylbutyl)piperidine-1-carboxamide
S426-0996 Screening compound: 3-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}-N-(3-methylbutyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S426-0996
3-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}-N-(3-methylbutyl)piperidine-1-carboxamide

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

S426-0996

Molecular Formula

C21H30N4O3 (C21 H30 N4 O3)

Compound Name

3-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}-N-(3-methylbutyl)piperidine-1-carboxamide

IUPAC name

3-{5-[(benzyloxy)methyl]-124-oxadiazol-3-yl}-N-(3-methylbutyl)piperidine-1-carboxamide

SMILES

CC(C)CCNC(N(CCC1)CC1c1noc(COCc2ccccc2)n1)=O

InChI

InChI=1S/C21H30N4O3/c1-16(2)10-11-22-21(26)25-12-6-9-18(13-25)20-23-19(28-24-20)15-27-14-17-7-4-3-5-8-17/h3-5,7-8,16,18H,6,9-15H2,1-2H3,(H,22,26)/t18-/m0/s1

InChI Key

CVBVMVYTQXDCBX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29005383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-3.97

Polar Surface Area

66.582

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

S426-0996 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Eye
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S426-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S426-0996?
Check Price and Availability of S426-0996, 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 S426-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S426-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S426-0996
  • 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 S426-0996 available by request