8016-2130 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,5-diethoxybenzenesulfonyl)piperazine

8016-2130 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,5-diethoxybenzenesulfonyl)piperazine
8016-2130 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,5-diethoxybenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2130
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,5-diethoxybenzenesulfonyl)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

8016-2130

Molecular Formula

C22H28N2O6S (C22 H28 N2 O6 S)

Compound Name

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

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(25-diethoxybenzenesulfonyl)piperazine

SMILES

CCOc(cc1)cc(S(N2CCN(Cc(cc3)cc4c3OCO4)CC2)(=O)=O)c1OCC

InChI

InChI=1S/C22H28N2O6S/c1-3-27-18-6-8-20(28-4-2)22(14-18)31(25,26)24-11-9-23(10-12-24)15-17-5-7-19-21(13-17)30-16-29-19/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3

InChI Key

IAFZBXIKPYVWNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.29

Polar Surface Area

66.939

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 8016-2130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2130?
Check Price and Availability of 8016-2130, 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 8016-2130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2130
  • 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 8016-2130 available by request