SA22-0961 Screening compound: {(2S)-4,4-difluoro-1-[1-(methylsulfonyl)-3-azetanyl]tetrahydro-1H-pyrrol-2-yl}(morpholino)methanone

SA22-0961 Screening compound: {(2S)-4,4-difluoro-1-[1-(methylsulfonyl)-3-azetanyl]tetrahydro-1H-pyrrol-2-yl}(morpholino)methanone
SA22-0961 Screening compound: {(2S)-4,4-difluoro-1-[1-(methylsulfonyl)-3-azetanyl]tetrahydro-1H-pyrrol-2-yl}(morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA22-0961
{(2S)-4,4-difluoro-1-[1-(methylsulfonyl)-3-azetanyl]tetrahydro-1H-pyrrol-2-yl}(morpholino)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

SA22-0961

Molecular Formula

C13H21F2N3O4S (C13 H21 F2 N3 O4 S)

Compound Name

{(2S)-4,4-difluoro-1-[1-(methylsulfonyl)-3-azetanyl]tetrahydro-1H-pyrrol-2-yl}(morpholino)methanone

IUPAC name

4-[(2S)-44-difluoro-1-(1-methanesulfonylazetidin-3-yl)pyrrolidine-2-carbonyl]morpholine

SMILES

CS(N(C1)CC1N(CC(C1)(F)F)[C@@H]1C(N1CCOCC1)=O)(=O)=O

InChI

InChI=1S/C13H21F2N3O4S/c1-23(20,21)17-7-10(8-17)18-9-13(14,15)6-11(18)12(19)16-2-4-22-5-3-16/h10-11H,2-9H2,1H3/t11-/m0/s1

InChI Key

JRDBTMCWTIIYSW-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.531

Distribution Coefficient, logD

-0.531

Water Solubility, LogSw

-1.03

Polar Surface Area

59.555

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.31

SA22-0961 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA22-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA22-0961?
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What is the minimum amount of SA22-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA22-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA22-0961
  • 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 SA22-0961 available by request