SA23-1699 Screening compound: 3-chloro-N-{[4,4-difluoro-1-(1-methylazetidin-3-yl)pyrrolidin-2-yl]methyl}-N-methylbenzamide

SA23-1699 Screening compound: 3-chloro-N-{[4,4-difluoro-1-(1-methylazetidin-3-yl)pyrrolidin-2-yl]methyl}-N-methylbenzamide
SA23-1699 Screening compound: 3-chloro-N-{[4,4-difluoro-1-(1-methylazetidin-3-yl)pyrrolidin-2-yl]methyl}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA23-1699
3-chloro-N-{[4,4-difluoro-1-(1-methylazetidin-3-yl)pyrrolidin-2-yl]methyl}-N-methylbenzamide

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

SA23-1699

Molecular Formula

C17H22ClF2N3O (C17 H22 ClF2 N3 O)

Compound Name

3-chloro-N-{[4,4-difluoro-1-(1-methylazetidin-3-yl)pyrrolidin-2-yl]methyl}-N-methylbenzamide

IUPAC name

3-chloro-N-{[(2S)-44-difluoro-1-(1-methylazetidin-3-yl)pyrrolidin-2-yl]methyl}-N-methylbenzamide

SMILES

CN(C[C@H](CC(C1)(F)F)N1C1CN(C)C1)C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C17H22ClF2N3O/c1-21-8-15(9-21)23-11-17(19,20)7-14(23)10-22(2)16(24)12-4-3-5-13(18)6-12/h3-6,14-15H,7-11H2,1-2H3/t14-/m0/s1

InChI Key

AICXTDGGHNYZME-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.022

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-2.86

Polar Surface Area

23.295

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

SA23-1699 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SA23-1699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA23-1699?
Check Price and Availability of SA23-1699, 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 SA23-1699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA23-1699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA23-1699
  • 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 SA23-1699 available by request