S591-0005 Screening compound: N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide

S591-0005 Screening compound: N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide
S591-0005 Screening compound: N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S591-0005
N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide

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

S591-0005

Molecular Formula

C9H18N2O3S (C9 H18 N2 O3 S)

Compound Name

N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide

IUPAC name

N-(azetidin-3-yl)-N-(oxan-4-yl)methanesulfonamide

SMILES

CS(N(C1CNC1)C1CCOCC1)(=O)=O

InChI

InChI=1S/C9H18N2O3S/c1-15(12,13)11(9-6-10-7-9)8-2-4-14-5-3-8/h8-10H,2-7H2,1H3

InChI Key

AHICUOSOKXIQMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28897725

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

234.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.446

Distribution Coefficient, logD

-1.013

Water Solubility, LogSw

-0.56

Polar Surface Area

51.843

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

S591-0005 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S591-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S591-0005?
Check Price and Availability of S591-0005, 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 S591-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S591-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S591-0005
  • 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 S591-0005 available by request