3702-0556 Screening compound: 1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

3702-0556 Screening compound: 1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
3702-0556 Screening compound: 1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3702-0556
1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(2,4,5-trimethoxyphenyl)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

3702-0556

Molecular Formula

C22H30N2O3S (C22 H30 N2 O3 S)

Compound Name

1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

IUPAC name

1-{[4-(methylsulfanyl)phenyl]methyl}-4-[(245-trimethoxyphenyl)methyl]piperazine

SMILES

COc(cc1OC)c(CN2CCN(Cc(cc3)ccc3SC)CC2)cc1OC

InChI

InChI=1S/C22H30N2O3S/c1-25-20-14-22(27-3)21(26-2)13-18(20)16-24-11-9-23(10-12-24)15-17-5-7-19(28-4)8-6-17/h5-8,13-14H,9-12,15-16H2,1-4H3

InChI Key

TYBAKKFHVSVKDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01921819

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

402.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

2.402

Water Solubility, LogSw

-3.64

Polar Surface Area

30.403

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

3702-0556 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3702-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3702-0556?
Check Price and Availability of 3702-0556, 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 3702-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3702-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3702-0556
  • 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 3702-0556 available by request