8006-4910 Screening compound: 5-(3,5-dimethylpiperazin-1-yl)-N-[2-(2-methylphenoxy)ethyl]-2-nitroaniline

8006-4910 Screening compound: 5-(3,5-dimethylpiperazin-1-yl)-N-[2-(2-methylphenoxy)ethyl]-2-nitroaniline
8006-4910 Screening compound: 5-(3,5-dimethylpiperazin-1-yl)-N-[2-(2-methylphenoxy)ethyl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4910
5-(3,5-dimethylpiperazin-1-yl)-N-[2-(2-methylphenoxy)ethyl]-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

8006-4910

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

5-(3,5-dimethylpiperazin-1-yl)-N-[2-(2-methylphenoxy)ethyl]-2-nitroaniline

IUPAC name

5-(35-dimethylpiperazin-1-yl)-N-[2-(2-methylphenoxy)ethyl]-2-nitroaniline

SMILES

CC(C1)NC(C)CN1c(cc1)cc(NCCOc2c(C)cccc2)c1[N+]([O-])=O

InChI

InChI=1S/C21H28N4O3/c1-15-6-4-5-7-21(15)28-11-10-22-19-12-18(8-9-20(19)25(26)27)24-13-16(2)23-17(3)14-24/h4-9,12,16-17,22-23H,10-11,13-14H2,1-3H3

InChI Key

YWLNLOBROCLLKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.761

Distribution Coefficient, logD

2.174

Water Solubility, LogSw

-4.59

Polar Surface Area

65.062

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

9.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

8006-4910 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-4910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4910?
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What is the minimum amount of 8006-4910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4910
  • 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 8006-4910 available by request