S591-0808 Screening compound: N-[1-(2,5-dimethylbenzenesulfonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

S591-0808 Screening compound: N-[1-(2,5-dimethylbenzenesulfonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
S591-0808 Screening compound: N-[1-(2,5-dimethylbenzenesulfonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S591-0808
N-[1-(2,5-dimethylbenzenesulfonyl)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

S591-0808

Molecular Formula

C17H26N2O5S2 (C17 H26 N2 O5 S2)

Compound Name

N-[1-(2,5-dimethylbenzenesulfonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

IUPAC name

N-[1-(25-dimethylbenzenesulfonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

SMILES

Cc1cc(S(N(C2)CC2N(C2CCOCC2)S(C)(=O)=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C17H26N2O5S2/c1-13-4-5-14(2)17(10-13)26(22,23)18-11-16(12-18)19(25(3,20)21)15-6-8-24-9-7-15/h4-5,10,15-16H,6-9,11-12H2,1-3H3

InChI Key

GLFSVROUEUMRQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31990243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.835

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-2.30

Polar Surface Area

71.406

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

-6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.71

S591-0808 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S591-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S591-0808?
Check Price and Availability of S591-0808, 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 S591-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S591-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S591-0808
  • 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 S591-0808 available by request