8011-1151 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline

8011-1151 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline
8011-1151 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1151
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-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

8011-1151

Molecular Formula

C27H32N4O6S (C27 H32 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(N(CC1)CCN1c(cc1)cc(NCCc(cc2)cc(OC)c2OC)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C27H32N4O6S/c1-20-4-8-23(9-5-20)38(34,35)30-16-14-29(15-17-30)22-7-10-25(31(32)33)24(19-22)28-13-12-21-6-11-26(36-2)27(18-21)37-3/h4-11,18-19,28H,12-17H2,1-3H3

InChI Key

ZEZLSWYFJMDFKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.64

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

4.311

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.37

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

33.30

References: we are preparing a list of scientific research reports with 8011-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1151?
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What is the minimum amount of 8011-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1151
  • 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 8011-1151 available by request