S973-0219 Screening compound: 3-BENZYL-5-(HYDROXYMETHYL)-1-METHYL-4-{[4-(TRIFLUOROMETHOXY)PHENYL]METHYL}PIPERAZIN-2-ONE

S973-0219 Screening compound: 3-BENZYL-5-(HYDROXYMETHYL)-1-METHYL-4-{[4-(TRIFLUOROMETHOXY)PHENYL]METHYL}PIPERAZIN-2-ONE
S973-0219 Screening compound: 3-BENZYL-5-(HYDROXYMETHYL)-1-METHYL-4-{[4-(TRIFLUOROMETHOXY)PHENYL]METHYL}PIPERAZIN-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S973-0219
3-BENZYL-5-(HYDROXYMETHYL)-1-METHYL-4-{[4-(TRIFLUOROMETHOXY)PHENYL]METHYL}PIPERAZIN-2-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

S973-0219

Molecular Formula

C21H23F3N2O3 (C21 H23 F3 N2 O3)

Compound Name

3-BENZYL-5-(HYDROXYMETHYL)-1-METHYL-4-{[4-(TRIFLUOROMETHOXY)PHENYL]METHYL}PIPERAZIN-2-ONE

IUPAC name

n/a

SMILES

CN(C[C@H](CO)N(Cc(cc1)ccc1OC(F)(F)F)[C@H]1Cc2ccccc2)C1=O

InChI

InChI=1S/C21H23F3N2O3/c1-25-13-17(14-27)26(19(20(25)28)11-15-5-3-2-4-6-15)12-16-7-9-18(10-8-16)29-21(22,23)24/h2-10,17,19,27H,11-14H2,1H3/t17-,19+/m1/s1

InChI Key

ZCPRNWUMHODGNJ-MJGOQNOKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.03

Polar Surface Area

42.199

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

S973-0219 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Structure:
  • Pool
  • Mimetics
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S973-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S973-0219?
Check Price and Availability of S973-0219, 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 S973-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S973-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S973-0219
  • 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 S973-0219 available by request