SA23-0161 Screening compound: N-[(4,4-difluoro-1-{1-[(furan-2-yl)methyl]azetidin-3-yl}pyrrolidin-2-yl)methyl]acetamide

SA23-0161 Screening compound: N-[(4,4-difluoro-1-{1-[(furan-2-yl)methyl]azetidin-3-yl}pyrrolidin-2-yl)methyl]acetamide
SA23-0161 Screening compound: N-[(4,4-difluoro-1-{1-[(furan-2-yl)methyl]azetidin-3-yl}pyrrolidin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA23-0161
N-[(4,4-difluoro-1-{1-[(furan-2-yl)methyl]azetidin-3-yl}pyrrolidin-2-yl)methyl]acetamide

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

SA23-0161

Molecular Formula

C15H21F2N3O2 (C15 H21 F2 N3 O2)

Compound Name

N-[(4,4-difluoro-1-{1-[(furan-2-yl)methyl]azetidin-3-yl}pyrrolidin-2-yl)methyl]acetamide

IUPAC name

N-{[(2S)-44-difluoro-1-{1-[(furan-2-yl)methyl]azetidin-3-yl}pyrrolidin-2-yl]methyl}acetamide

SMILES

CC(NC[C@H](CC(C1)(F)F)N1C1CN(Cc2ccco2)C1)=O

InChI

InChI=1S/C15H21F2N3O2/c1-11(21)18-6-12-5-15(16,17)10-20(12)13-7-19(8-13)9-14-3-2-4-22-14/h2-4,12-13H,5-10H2,1H3,(H,18,21)/t12-/m1/s1

InChI Key

FBLNBKYGDCSCCX-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.805

Distribution Coefficient, logD

0.787

Water Solubility, LogSw

-1.74

Polar Surface Area

39.541

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SA23-0161 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA23-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA23-0161?
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What is the minimum amount of SA23-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA23-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA23-0161
  • 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 SA23-0161 available by request