SA24-0021 Screening compound: 1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-4-(1H-indol-3-yl)butan-1-one

SA24-0021 Screening compound: 1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-4-(1H-indol-3-yl)butan-1-one
SA24-0021 Screening compound: 1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-4-(1H-indol-3-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA24-0021
1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-4-(1H-indol-3-yl)butan-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

SA24-0021

Molecular Formula

C20H25F2N3O2 (C20 H25 F2 N3 O2)

Compound Name

1-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-4-(1H-indol-3-yl)butan-1-one

IUPAC name

1-{3-[(2S)-44-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-4-(1H-indol-3-yl)butan-1-one

SMILES

OC[C@H](CC(C1)(F)F)N1C(C1)CN1C(CCCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C20H25F2N3O2/c21-20(22)8-15(12-26)25(13-20)16-10-24(11-16)19(27)7-3-4-14-9-23-18-6-2-1-5-17(14)18/h1-2,5-6,9,15-16,23,26H,3-4,7-8,10-13H2/t15-/m1/s1

InChI Key

XJJDYOQMNLOJRE-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-2.58

Polar Surface Area

46.582

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

SA24-0021 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA24-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA24-0021?
Check Price and Availability of SA24-0021, 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 SA24-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA24-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA24-0021
  • 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 SA24-0021 available by request