S330-0313 Screening compound: (4-{[1-(methylsulfonyl)-4-piperidyl]oxy}piperidino)(1H-pyrazol-3-yl)methanone

S330-0313 Screening compound: (4-{[1-(methylsulfonyl)-4-piperidyl]oxy}piperidino)(1H-pyrazol-3-yl)methanone
S330-0313 Screening compound: (4-{[1-(methylsulfonyl)-4-piperidyl]oxy}piperidino)(1H-pyrazol-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S330-0313
(4-{[1-(methylsulfonyl)-4-piperidyl]oxy}piperidino)(1H-pyrazol-3-yl)methanone

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

S330-0313

Molecular Formula

C15H24N4O4S (C15 H24 N4 O4 S)

Compound Name

(4-{[1-(methylsulfonyl)-4-piperidyl]oxy}piperidino)(1H-pyrazol-3-yl)methanone

IUPAC name

1-methanesulfonyl-4-{[1-(1H-pyrazole-3-carbonyl)piperidin-4-yl]oxy}piperidine

SMILES

CS(N(CC1)CCC1OC(CC1)CCN1C(c1n[nH]cc1)=O)(=O)=O

InChI

InChI=1S/C15H24N4O4S/c1-24(21,22)19-10-5-13(6-11-19)23-12-3-8-18(9-4-12)15(20)14-2-7-16-17-14/h2,7,12-13H,3-6,8-11H2,1H3,(H,16,17)

InChI Key

LYTAAAPNVSBWTR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.280

Distribution Coefficient, logD

-0.280

Water Solubility, LogSw

-2.13

Polar Surface Area

77.739

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.33

S330-0313 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S330-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S330-0313?
Check Price and Availability of S330-0313, 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 S330-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S330-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S330-0313
  • 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 S330-0313 available by request