SA22-0965 Screening compound: (2S)-N-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-4,4-difluoro-1-[1-(methylsulfonyl)-3-azetanyl]tetrahydro-1H-pyrrole-2-carboxamide

SA22-0965 Screening compound: (2S)-N-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-4,4-difluoro-1-[1-(methylsulfonyl)-3-azetanyl]tetrahydro-1H-pyrrole-2-carboxamide
SA22-0965 Screening compound: (2S)-N-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-4,4-difluoro-1-[1-(methylsulfonyl)-3-azetanyl]tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA22-0965
(2S)-N-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-4,4-difluoro-1-[1-(methylsulfonyl)-3-azetanyl]tetrahydro-1H-pyrrole-2-carboxamide

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

SA22-0965

Molecular Formula

C18H23F2N5O3S (C18 H23 F2 N5 O3 S)

Compound Name

(2S)-N-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-4,4-difluoro-1-[1-(methylsulfonyl)-3-azetanyl]tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

(2S)-N-[2-(1H-13-benzodiazol-2-yl)ethyl]-44-difluoro-1-(1-methanesulfonylazetidin-3-yl)pyrrolidine-2-carboxamide

SMILES

CS(N(C1)CC1N(CC(C1)(F)F)[C@@H]1C(NCCc1nc(cccc2)c2[nH]1)=O)(=O)=O

InChI

InChI=1S/C18H23F2N5O3S/c1-29(27,28)24-9-12(10-24)25-11-18(19,20)8-15(25)17(26)21-7-6-16-22-13-4-2-3-5-14(13)23-16/h2-5,12,15H,6-11H2,1H3,(H,21,26)(H,22,23)/t15-/m0/s1

InChI Key

FESAQFITVMTMFY-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.942

Distribution Coefficient, logD

0.928

Water Solubility, LogSw

-2.30

Polar Surface Area

79.534

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SA22-0965 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 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
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA22-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA22-0965?
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What is the minimum amount of SA22-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA22-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA22-0965
  • 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 SA22-0965 available by request