5979-0454 Screening compound: 4-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol

5979-0454 Screening compound: 4-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol
5979-0454 Screening compound: 4-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5979-0454
4-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol

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

5979-0454

Molecular Formula

C19H24N2O5S (C19 H24 N2 O5 S)

Compound Name

4-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol

IUPAC name

4-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-26-dimethoxyphenol

SMILES

COc1cc(CN(CC2)CCN2S(c2ccccc2)(=O)=O)cc(OC)c1O

InChI

InChI=1S/C19H24N2O5S/c1-25-17-12-15(13-18(26-2)19(17)22)14-20-8-10-21(11-9-20)27(23,24)16-6-4-3-5-7-16/h3-7,12-13,22H,8-11,14H2,1-2H3

InChI Key

SAJJRDVBOOACPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03446022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.469

Distribution Coefficient, logD

0.574

Water Solubility, LogSw

-2.28

Polar Surface Area

66.230

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

5979-0454 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 5979-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5979-0454?
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What is the minimum amount of 5979-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5979-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5979-0454
  • 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 5979-0454 available by request