3701-0226 Screening compound: 1-(benzenesulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

3701-0226 Screening compound: 1-(benzenesulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
3701-0226 Screening compound: 1-(benzenesulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0226
1-(benzenesulfonyl)-4-[(3,4,5-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

3701-0226

Molecular Formula

C20H26N2O5S (C20 H26 N2 O5 S)

Compound Name

1-(benzenesulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

IUPAC name

1-(benzenesulfonyl)-4-[(345-trimethoxyphenyl)methyl]piperazine

SMILES

COc1cc(CN(CC2)CCN2S(c2ccccc2)(=O)=O)cc(OC)c1OC

InChI

InChI=1S/C20H26N2O5S/c1-25-18-13-16(14-19(26-2)20(18)27-3)15-21-9-11-22(12-10-21)28(23,24)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3

InChI Key

GDIGEKKQCIDEQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107464

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

406.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.166

Distribution Coefficient, logD

1.271

Water Solubility, LogSw

-2.75

Polar Surface Area

58.468

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3701-0226 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3701-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0226?
Check Price and Availability of 3701-0226, 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 3701-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0226
  • 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 3701-0226 available by request