SA24-0065 Screening compound: {3-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-1-azetanyl}(1-phenylcyclopropyl)methanone

SA24-0065 Screening compound: {3-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-1-azetanyl}(1-phenylcyclopropyl)methanone
SA24-0065 Screening compound: {3-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-1-azetanyl}(1-phenylcyclopropyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA24-0065
{3-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]-1-azetanyl}(1-phenylcyclopropyl)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

SA24-0065

Molecular Formula

C18H22F2N2O2 (C18 H22 F2 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

OC[C@H](CC(C1)(F)F)N1C(C1)CN1C(C1(CC1)c1ccccc1)=O

InChI

InChI=1S/C18H22F2N2O2/c19-18(20)8-14(11-23)22(12-18)15-9-21(10-15)16(24)17(6-7-17)13-4-2-1-3-5-13/h1-5,14-15,23H,6-12H2/t14-/m0/s1

InChI Key

VIYGUQYWLGUZQV-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.630

Distribution Coefficient, logD

1.627

Water Solubility, LogSw

-1.70

Polar Surface Area

37.490

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SA24-0065 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cardiovascular Library (22201 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with SA24-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA24-0065?
Check Price and Availability of SA24-0065, 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 SA24-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA24-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA24-0065
  • 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 SA24-0065 available by request