8006-7586 Screening compound: N-[2-(3-methylphenoxy)ethyl]-5-(morpholin-4-yl)-2-nitroaniline

8006-7586 Screening compound: N-[2-(3-methylphenoxy)ethyl]-5-(morpholin-4-yl)-2-nitroaniline
8006-7586 Screening compound: N-[2-(3-methylphenoxy)ethyl]-5-(morpholin-4-yl)-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7586
N-[2-(3-methylphenoxy)ethyl]-5-(morpholin-4-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

8006-7586

Molecular Formula

C19H23N3O4 (C19 H23 N3 O4)

Compound Name

N-[2-(3-methylphenoxy)ethyl]-5-(morpholin-4-yl)-2-nitroaniline

IUPAC name

N-[2-(3-methylphenoxy)ethyl]-5-(morpholin-4-yl)-2-nitroaniline

SMILES

Cc1cccc(OCCNc(cc(cc2)N3CCOCC3)c2[N+]([O-])=O)c1

InChI

InChI=1S/C19H23N3O4/c1-15-3-2-4-17(13-15)26-10-7-20-18-14-16(5-6-19(18)22(23)24)21-8-11-25-12-9-21/h2-6,13-14,20H,7-12H2,1H3

InChI Key

ZRDDDLMFVDMLDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.099

Distribution Coefficient, logD

4.099

Water Solubility, LogSw

-4.30

Polar Surface Area

61.476

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8006-7586 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8006-7586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7586?
Check Price and Availability of 8006-7586, 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 8006-7586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7586
  • 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 8006-7586 available by request