SA24-1313 Screening compound: {4,4-difluoro-1-[1-(4-fluorobenzenesulfonyl)azetidin-3-yl]pyrrolidin-2-yl}methanol

SA24-1313 Screening compound: {4,4-difluoro-1-[1-(4-fluorobenzenesulfonyl)azetidin-3-yl]pyrrolidin-2-yl}methanol
SA24-1313 Screening compound: {4,4-difluoro-1-[1-(4-fluorobenzenesulfonyl)azetidin-3-yl]pyrrolidin-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA24-1313
{4,4-difluoro-1-[1-(4-fluorobenzenesulfonyl)azetidin-3-yl]pyrrolidin-2-yl}methanol

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

SA24-1313

Molecular Formula

C14H17F3N2O3S (C14 H17 F3 N2 O3 S)

Compound Name

{4,4-difluoro-1-[1-(4-fluorobenzenesulfonyl)azetidin-3-yl]pyrrolidin-2-yl}methanol

IUPAC name

[(2S)-44-difluoro-1-[1-(4-fluorobenzenesulfonyl)azetidin-3-yl]pyrrolidin-2-yl]methanol

SMILES

OC[C@H](CC(C1)(F)F)N1C(C1)CN1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C14H17F3N2O3S/c15-10-1-3-13(4-2-10)23(21,22)18-6-12(7-18)19-9-14(16,17)5-11(19)8-20/h1-4,11-12,20H,5-9H2/t11-/m0/s1

InChI Key

XXEVJFQUEYYPGN-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.408

Distribution Coefficient, logD

1.406

Water Solubility, LogSw

-2.26

Polar Surface Area

52.301

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SA24-1313 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA24-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA24-1313?
Check Price and Availability of SA24-1313, 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 SA24-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA24-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA24-1313
  • 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 SA24-1313 available by request