SA24-0060 Screening compound: 1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-2-(2,5-dimethoxyphenyl)ethan-1-one

SA24-0060 Screening compound: 1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-2-(2,5-dimethoxyphenyl)ethan-1-one
SA24-0060 Screening compound: 1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-2-(2,5-dimethoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA24-0060
1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-2-(2,5-dimethoxyphenyl)ethan-1-one

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

SA24-0060

Molecular Formula

C18H24F2N2O4 (C18 H24 F2 N2 O4)

Compound Name

1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-2-(2,5-dimethoxyphenyl)ethan-1-one

IUPAC name

1-{3-[(2S)-44-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-2-(25-dimethoxyphenyl)ethan-1-one

SMILES

COc(cc1)cc(CC(N(C2)CC2N(C2)[C@H](CO)CC2(F)F)=O)c1OC

InChI

InChI=1S/C18H24F2N2O4/c1-25-15-3-4-16(26-2)12(5-15)6-17(24)21-8-14(9-21)22-11-18(19,20)7-13(22)10-23/h3-5,13-14,23H,6-11H2,1-2H3/t13-/m1/s1

InChI Key

GUPJXKNXEZZOTA-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.515

Water Solubility, LogSw

-2.05

Polar Surface Area

51.886

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SA24-0060 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with SA24-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA24-0060?
Check Price and Availability of SA24-0060, 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 SA24-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA24-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA24-0060
  • 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 SA24-0060 available by request