3819-1316 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(4-phenylmethanesulfonylpiperazin-1-yl)aniline

3819-1316 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(4-phenylmethanesulfonylpiperazin-1-yl)aniline
3819-1316 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(4-phenylmethanesulfonylpiperazin-1-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3819-1316
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(4-phenylmethanesulfonylpiperazin-1-yl)aniline

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

3819-1316

Molecular Formula

C27H32N4O6S (C27 H32 N4 O6 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(4-phenylmethanesulfonylpiperazin-1-yl)aniline

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-nitro-5-(4-phenylmethanesulfonylpiperazin-1-yl)aniline

SMILES

COc(ccc(CCNc(cc(cc1)N(CC2)CCN2S(Cc2ccccc2)(=O)=O)c1[N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C27H32N4O6S/c1-36-26-11-8-21(18-27(26)37-2)12-13-28-24-19-23(9-10-25(24)31(32)33)29-14-16-30(17-15-29)38(34,35)20-22-6-4-3-5-7-22/h3-11,18-19,28H,12-17,20H2,1-2H3

InChI Key

WMGFGYHRAMQQGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625945

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

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.97

Polar Surface Area

92.824

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3819-1316 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3819-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3819-1316?
Check Price and Availability of 3819-1316, 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 3819-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3819-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3819-1316
  • 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 3819-1316 available by request