S330-4661 Screening compound: N~1~-(3-chloro-2-fluorophenyl)-4-{[1-(methylsulfonyl)-4-piperidyl]oxy}tetrahydro-1(2H)-pyridinecarboxamide

S330-4661 Screening compound: N~1~-(3-chloro-2-fluorophenyl)-4-{[1-(methylsulfonyl)-4-piperidyl]oxy}tetrahydro-1(2H)-pyridinecarboxamide
S330-4661 Screening compound: N~1~-(3-chloro-2-fluorophenyl)-4-{[1-(methylsulfonyl)-4-piperidyl]oxy}tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S330-4661
N~1~-(3-chloro-2-fluorophenyl)-4-{[1-(methylsulfonyl)-4-piperidyl]oxy}tetrahydro-1(2H)-pyridinecarboxamide

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

S330-4661

Molecular Formula

C18H25ClFN3O4S (C18 H25 ClFN3 O4 S)

Compound Name

N~1~-(3-chloro-2-fluorophenyl)-4-{[1-(methylsulfonyl)-4-piperidyl]oxy}tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

n/a

SMILES

CS(N(CC1)CCC1OC(CC1)CCN1C(Nc1cccc(Cl)c1F)=O)(=O)=O

InChI

InChI=1S/C18H25ClFN3O4S/c1-28(25,26)23-11-7-14(8-12-23)27-13-5-9-22(10-6-13)18(24)21-16-4-2-3-15(19)17(16)20/h2-4,13-14H,5-12H2,1H3,(H,21,24)

InChI Key

LWMVZPZBKDETFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.261

Water Solubility, LogSw

-3.15

Polar Surface Area

62.260

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

S330-4661 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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 S330-4661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S330-4661?
Check Price and Availability of S330-4661, 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 S330-4661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S330-4661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S330-4661
  • 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 S330-4661 available by request