3381-0540 Screening compound: 1-[(3-chlorophenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine

3381-0540 Screening compound: 1-[(3-chlorophenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine
3381-0540 Screening compound: 1-[(3-chlorophenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0540
1-[(3-chlorophenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine

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

3381-0540

Molecular Formula

C19H23ClN2S (C19 H23 ClN2 S)

Compound Name

1-[(3-chlorophenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine

IUPAC name

1-[(3-chlorophenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine

SMILES

CSc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1

InChI

InChI=1S/C19H23ClN2S/c1-23-19-7-5-16(6-8-19)14-21-9-11-22(12-10-21)15-17-3-2-4-18(20)13-17/h2-8,13H,9-12,14-15H2,1H3

InChI Key

DHRIGVPYBCIIJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02040715

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

346.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.318

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.38

Polar Surface Area

7.511

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3381-0540 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 3381-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0540?
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What is the minimum amount of 3381-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0540
  • 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 3381-0540 available by request