8013-6580 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-4-(2,6-dimethylphenyl)piperazine

8013-6580 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-4-(2,6-dimethylphenyl)piperazine
8013-6580 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-4-(2,6-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6580
1-(3,4-dimethoxybenzenesulfonyl)-4-(2,6-dimethylphenyl)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

8013-6580

Molecular Formula

C20H26N2O4S (C20 H26 N2 O4 S)

Compound Name

1-(3,4-dimethoxybenzenesulfonyl)-4-(2,6-dimethylphenyl)piperazine

IUPAC name

1-(34-dimethoxybenzenesulfonyl)-4-(26-dimethylphenyl)piperazine

SMILES

Cc1cccc(C)c1N(CC1)CCN1S(c(cc1)cc(OC)c1OC)(=O)=O

InChI

InChI=1S/C20H26N2O4S/c1-15-6-5-7-16(2)20(15)21-10-12-22(13-11-21)27(23,24)17-8-9-18(25-3)19(14-17)26-4/h5-9,14H,10-13H2,1-4H3

InChI Key

KLVSKFLMGKPHDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-3.66

Polar Surface Area

49.869

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8013-6580 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8013-6580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6580?
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What is the minimum amount of 8013-6580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6580
  • 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 8013-6580 available by request