7065-0115 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4,5-trimethylbenzenesulfonyl)piperazine

7065-0115 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4,5-trimethylbenzenesulfonyl)piperazine
7065-0115 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4,5-trimethylbenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7065-0115
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4,5-trimethylbenzenesulfonyl)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

7065-0115

Molecular Formula

C21H26N2O4S (C21 H26 N2 O4 S)

Compound Name

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

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(245-trimethylbenzenesulfonyl)piperazine

SMILES

Cc(c(C)c1)cc(C)c1S(N1CCN(Cc(cc2)cc3c2OCO3)CC1)(=O)=O

InChI

InChI=1S/C21H26N2O4S/c1-15-10-17(3)21(11-16(15)2)28(24,25)23-8-6-22(7-9-23)13-18-4-5-19-20(12-18)27-14-26-19/h4-5,10-12H,6-9,13-14H2,1-3H3

InChI Key

UQVSCEFYGLBUCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12914141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-3.88

Polar Surface Area

52.605

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

7065-0115 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7065-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7065-0115?
Check Price and Availability of 7065-0115, 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 7065-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7065-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7065-0115
  • 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 7065-0115 available by request