4169-2571 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline

4169-2571 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
4169-2571 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4169-2571
5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline

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

4169-2571

Molecular Formula

C26H30N4O6S (C26 H30 N4 O6 S)

Compound Name

5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline

IUPAC name

5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(34-dimethoxyphenyl)ethyl]-2-nitroaniline

SMILES

COc(ccc(CCNc(cc(cc1)N(CC2)CCN2S(c2ccccc2)(=O)=O)c1[N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C26H30N4O6S/c1-35-25-11-8-20(18-26(25)36-2)12-13-27-23-19-21(9-10-24(23)30(31)32)28-14-16-29(17-15-28)37(33,34)22-6-4-3-5-7-22/h3-11,18-19,27H,12-17H2,1-2H3

InChI Key

OBEVQNMIVJQBHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.08

Polar Surface Area

92.929

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 4169-2571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4169-2571?
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What is the minimum amount of 4169-2571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4169-2571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4169-2571
  • 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 4169-2571 available by request