3819-1349 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]-2-nitroaniline

3819-1349 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]-2-nitroaniline
3819-1349 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3819-1349
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(naphthalene-2-sulfonyl)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

3819-1349

Molecular Formula

C30H32N4O6S (C30 H32 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNc(cc(cc1)N(CC2)CCN2S(c2cc3ccccc3cc2)(=O)=O)c1[N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C30H32N4O6S/c1-39-29-12-7-22(19-30(29)40-2)13-14-31-27-21-25(9-11-28(27)34(35)36)32-15-17-33(18-16-32)41(37,38)26-10-8-23-5-3-4-6-24(23)20-26/h3-12,19-21,31H,13-18H2,1-2H3

InChI Key

LTSPSHFYOZBCPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.67

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

5.006

Distribution Coefficient, logD

5.006

Water Solubility, LogSw

-5.32

Polar Surface Area

92.658

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

3819-1349 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 3819-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3819-1349?
Check Price and Availability of 3819-1349, 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 3819-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3819-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3819-1349
  • 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 3819-1349 available by request