S591-0908 Screening compound: N-[1-(1-methyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

S591-0908 Screening compound: N-[1-(1-methyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
S591-0908 Screening compound: N-[1-(1-methyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S591-0908
N-[1-(1-methyl-1H-pyrazole-5-carbonyl)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

S591-0908

Molecular Formula

C14H22N4O4S (C14 H22 N4 O4 S)

Compound Name

N-[1-(1-methyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

IUPAC name

N-[1-(1-methyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

SMILES

Cn1nccc1C(N(C1)CC1N(C1CCOCC1)S(C)(=O)=O)=O

InChI

InChI=1S/C14H22N4O4S/c1-16-13(3-6-15-16)14(19)17-9-12(10-17)18(23(2,20)21)11-4-7-22-8-5-11/h3,6,11-12H,4-5,7-10H2,1-2H3

InChI Key

BKGYFQKCWFOOQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.616

Distribution Coefficient, logD

-0.616

Water Solubility, LogSw

-1.70

Polar Surface Area

69.993

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

S591-0908 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S591-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S591-0908?
Check Price and Availability of S591-0908, 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 S591-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S591-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S591-0908
  • 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 S591-0908 available by request