4262-0249 Screening compound: 1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine

4262-0249 Screening compound: 1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine
4262-0249 Screening compound: 1-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4262-0249
1-{[3-(benzyloxy)-4-methoxyphenyl]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

4262-0249

Molecular Formula

C27H32N2O2S (C27 H32 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CN1CCN(Cc(cc2)ccc2SC)CC1)c1)c1OCc1ccccc1

InChI

InChI=1S/C27H32N2O2S/c1-30-26-13-10-24(18-27(26)31-21-23-6-4-3-5-7-23)20-29-16-14-28(15-17-29)19-22-8-11-25(32-2)12-9-22/h3-13,18H,14-17,19-21H2,1-2H3

InChI Key

JWULSQDGBNWDJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02825739

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

448.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

3.605

Water Solubility, LogSw

-4.63

Polar Surface Area

22.456

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4262-0249 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4262-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4262-0249?
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What is the minimum amount of 4262-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4262-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4262-0249
  • 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 4262-0249 available by request