SA23-0047 Screening compound: 1-(3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidin-1-yl)-2-phenoxyethan-1-one

SA23-0047 Screening compound: 1-(3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidin-1-yl)-2-phenoxyethan-1-one
SA23-0047 Screening compound: 1-(3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidin-1-yl)-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA23-0047
1-(3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidin-1-yl)-2-phenoxyethan-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

SA23-0047

Molecular Formula

C18H25F2N3O2 (C18 H25 F2 N3 O2)

Compound Name

1-(3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidin-1-yl)-2-phenoxyethan-1-one

IUPAC name

1-{3-[(2S)-2-[(dimethylamino)methyl]-44-difluoropyrrolidin-1-yl]azetidin-1-yl}-2-phenoxyethan-1-one

SMILES

CN(C)C[C@H](CC(C1)(F)F)N1C(C1)CN1C(COc1ccccc1)=O

InChI

InChI=1S/C18H25F2N3O2/c1-21(2)9-14-8-18(19,20)13-23(14)15-10-22(11-15)17(24)12-25-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3/t14-/m1/s1

InChI Key

QTWSAGFQCFFTTK-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.339

Distribution Coefficient, logD

1.334

Water Solubility, LogSw

-1.65

Polar Surface Area

30.983

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SA23-0047 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA23-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA23-0047?
Check Price and Availability of SA23-0047, 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 SA23-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA23-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA23-0047
  • 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 SA23-0047 available by request