7065-0118 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chloro-3-methoxybenzenesulfonyl)piperazine

7065-0118 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chloro-3-methoxybenzenesulfonyl)piperazine
7065-0118 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chloro-3-methoxybenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7065-0118
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chloro-3-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

7065-0118

Molecular Formula

C19H21ClN2O5S (C19 H21 ClN2 O5 S)

Compound Name

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

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(4-chloro-3-methoxybenzenesulfonyl)piperazine

SMILES

COc(cc(cc1)S(N2CCN(Cc(cc3)cc4c3OCO4)CC2)(=O)=O)c1Cl

InChI

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

InChI Key

VKOWNYNHAPZNCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05241220

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

3.031

Distribution Coefficient, logD

2.936

Water Solubility, LogSw

-3.40

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

References: we are preparing a list of scientific research reports with 7065-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7065-0118?
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What is the minimum amount of 7065-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7065-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7065-0118
  • 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 7065-0118 available by request