S683-1168 Screening compound: 4-[(2,4-difluorophenyl)methyl]-3-phenyl-2-[(pyridin-2-yloxy)methyl]morpholine

S683-1168 Screening compound: 4-[(2,4-difluorophenyl)methyl]-3-phenyl-2-[(pyridin-2-yloxy)methyl]morpholine
S683-1168 Screening compound: 4-[(2,4-difluorophenyl)methyl]-3-phenyl-2-[(pyridin-2-yloxy)methyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S683-1168
4-[(2,4-difluorophenyl)methyl]-3-phenyl-2-[(pyridin-2-yloxy)methyl]morpholine

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

S683-1168

Molecular Formula

C23H22F2N2O2 (C23 H22 F2 N2 O2)

Compound Name

4-[(2,4-difluorophenyl)methyl]-3-phenyl-2-[(pyridin-2-yloxy)methyl]morpholine

IUPAC name

(2R3S)-4-[(24-difluorophenyl)methyl]-3-phenyl-2-[(pyridin-2-yloxy)methyl]morpholine

SMILES

Fc1cc(F)c(CN(CCO[C@@H]2COc3ncccc3)[C@@H]2c2ccccc2)cc1

InChI

InChI=1S/C23H22F2N2O2/c24-19-10-9-18(20(25)14-19)15-27-12-13-28-21(16-29-22-8-4-5-11-26-22)23(27)17-6-2-1-3-7-17/h1-11,14,21,23H,12-13,15-16H2/t21-,23-/m1/s1

InChI Key

PQFKPVLSJHLYOV-FYYLOGMGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.642

Distribution Coefficient, logD

4.641

Water Solubility, LogSw

-4.63

Polar Surface Area

28.271

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.09

S683-1168 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S683-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S683-1168?
Check Price and Availability of S683-1168, 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 S683-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S683-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S683-1168
  • 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 S683-1168 available by request