8006-5501 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2,4-dinitroaniline

8006-5501 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2,4-dinitroaniline
8006-5501 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2,4-dinitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5501
N-[2-(1H-indol-3-yl)ethyl]-2,4-dinitroaniline

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

8006-5501

Molecular Formula

C16H14N4O4 (C16 H14 N4 O4)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-2,4-dinitroaniline

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-24-dinitroaniline

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1NCCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C16H14N4O4/c21-19(22)12-5-6-15(16(9-12)20(23)24)17-8-7-11-10-18-14-4-2-1-3-13(11)14/h1-6,9-10,17-18H,7-8H2

InChI Key

DVMBDPMSHUSHMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00716925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-4.30

Polar Surface Area

85.950

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8006-5501 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-5501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5501?
Check Price and Availability of 8006-5501, 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 8006-5501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5501
  • 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 8006-5501 available by request