3381-0847 Screening compound: 1-(2,5-dimethoxybenzyl)-4-[4-(methylsulfanyl)benzyl]piperazine

3381-0847 Screening compound: 1-(2,5-dimethoxybenzyl)-4-[4-(methylsulfanyl)benzyl]piperazine
3381-0847 Screening compound: 1-(2,5-dimethoxybenzyl)-4-[4-(methylsulfanyl)benzyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0847
1-(2,5-dimethoxybenzyl)-4-[4-(methylsulfanyl)benzyl]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

3381-0847

Molecular Formula

C21H28N2O2S (C21 H28 N2 O2 S)

Compound Name

1-(2,5-dimethoxybenzyl)-4-[4-(methylsulfanyl)benzyl]piperazine

IUPAC name

1-[(25-dimethoxyphenyl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine

SMILES

COc(cc1)cc(CN2CCN(Cc(cc3)ccc3SC)CC2)c1OC

InChI

InChI=1S/C21H28N2O2S/c1-24-19-6-9-21(25-2)18(14-19)16-23-12-10-22(11-13-23)15-17-4-7-20(26-3)8-5-17/h4-9,14H,10-13,15-16H2,1-3H3

InChI Key

SVWCONVDTTYCNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01909589

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

372.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

2.513

Water Solubility, LogSw

-4.04

Polar Surface Area

22.686

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with 3381-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0847?
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What is the minimum amount of 3381-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0847
  • 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 3381-0847 available by request