7065-0116 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-chloro-2-methoxybenzenesulfonyl)piperazine

7065-0116 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-chloro-2-methoxybenzenesulfonyl)piperazine
7065-0116 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-chloro-2-methoxybenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7065-0116
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-chloro-2-methoxybenzenesulfonyl)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

7065-0116

Molecular Formula

C19H21ClN2O5S (C19 H21 ClN2 O5 S)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-chloro-2-methoxybenzenesulfonyl)piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(5-chloro-2-methoxybenzenesulfonyl)piperazine

SMILES

COc(ccc(Cl)c1)c1S(N1CCN(Cc(cc2)cc3c2OCO3)CC1)(=O)=O

InChI

InChI=1S/C19H21ClN2O5S/c1-25-17-5-3-15(20)11-19(17)28(23,24)22-8-6-21(7-9-22)12-14-2-4-16-18(10-14)27-13-26-16/h2-5,10-11H,6-9,12-13H2,1H3

InChI Key

HGANCFZUDNNTRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05241219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.841

Distribution Coefficient, logD

2.745

Water Solubility, LogSw

-3.38

Polar Surface Area

60.236

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

7065-0116 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7065-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7065-0116?
Check Price and Availability of 7065-0116, 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 7065-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7065-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7065-0116
  • 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 7065-0116 available by request