8006-6936 Screening compound: 2-[4-(3-{[2-(4-ethylphenoxy)ethyl]amino}-4-nitrophenyl)piperazino]-1-ethanol

8006-6936 Screening compound: 2-[4-(3-{[2-(4-ethylphenoxy)ethyl]amino}-4-nitrophenyl)piperazino]-1-ethanol
8006-6936 Screening compound: 2-[4-(3-{[2-(4-ethylphenoxy)ethyl]amino}-4-nitrophenyl)piperazino]-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6936
2-[4-(3-{[2-(4-ethylphenoxy)ethyl]amino}-4-nitrophenyl)piperazino]-1-ethanol

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

8006-6936

Molecular Formula

C22H30N4O4 (C22 H30 N4 O4)

Compound Name

2-[4-(3-{[2-(4-ethylphenoxy)ethyl]amino}-4-nitrophenyl)piperazino]-1-ethanol

IUPAC name

2-[4-(3-{[2-(4-ethylphenoxy)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol

SMILES

CCc(cc1)ccc1OCCNc(cc(cc1)N2CCN(CCO)CC2)c1[N+]([O-])=O

InChI

InChI=1S/C22H30N4O4/c1-2-18-3-6-20(7-4-18)30-16-9-23-21-17-19(5-8-22(21)26(28)29)25-12-10-24(11-13-25)14-15-27/h3-8,17,23,27H,2,9-16H2,1H3

InChI Key

MEOGKBZISRSFBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.057

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.02

Polar Surface Area

74.013

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

8006-6936 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8006-6936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6936?
Check Price and Availability of 8006-6936, 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 8006-6936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6936
  • 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 8006-6936 available by request