4964-1598 Screening compound: 1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)-2-phenylethan-1-one

4964-1598 Screening compound: 1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)-2-phenylethan-1-one
4964-1598 Screening compound: 1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-1598
1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)-2-phenylethan-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

4964-1598

Molecular Formula

C20H24N2OS (C20 H24 N2 OS)

Compound Name

1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)-2-phenylethan-1-one

IUPAC name

1-(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)-2-phenylethan-1-one

SMILES

CSc1ccc(CN(CC2)CCN2C(Cc2ccccc2)=O)cc1

InChI

InChI=1S/C20H24N2OS/c1-24-19-9-7-18(8-10-19)16-21-11-13-22(14-12-21)20(23)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3

InChI Key

ZPVCAXQFIPNNCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02731266

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

340.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.417

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.60

Polar Surface Area

19.900

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4964-1598 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4964-1598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-1598?
Check Price and Availability of 4964-1598, 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 4964-1598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-1598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-1598
  • 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 4964-1598 available by request