S429-0060 Screening compound: 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

S429-0060 Screening compound: 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine
S429-0060 Screening compound: 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-0060
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

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

S429-0060

Molecular Formula

C14H21N5O3S (C14 H21 N5 O3 S)

Compound Name

1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

IUPAC name

1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-4-(5-methyl-124-oxadiazol-3-yl)piperidine

SMILES

CCn1ncc(S(N(CC2)CCC2(C)c2noc(C)n2)(=O)=O)c1

InChI

InChI=1S/C14H21N5O3S/c1-4-18-10-12(9-15-18)23(20,21)19-7-5-14(3,6-8-19)13-16-11(2)22-17-13/h9-10H,4-8H2,1-3H3

InChI Key

YMZKZVVLTUYOKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.129

Distribution Coefficient, logD

1.129

Water Solubility, LogSw

-1.58

Polar Surface Area

77.357

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.29

S429-0060 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S429-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-0060?
Check Price and Availability of S429-0060, 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 S429-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-0060
  • 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 S429-0060 available by request