8008-6405 Screening compound: 4-{[2-(4-methoxyphenoxy)ethyl]amino}-3-nitro-2H-chromen-2-one

8008-6405 Screening compound: 4-{[2-(4-methoxyphenoxy)ethyl]amino}-3-nitro-2H-chromen-2-one
8008-6405 Screening compound: 4-{[2-(4-methoxyphenoxy)ethyl]amino}-3-nitro-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6405
4-{[2-(4-methoxyphenoxy)ethyl]amino}-3-nitro-2H-chromen-2-one

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

8008-6405

Molecular Formula

C18H16N2O6 (C18 H16 N2 O6)

Compound Name

4-{[2-(4-methoxyphenoxy)ethyl]amino}-3-nitro-2H-chromen-2-one

IUPAC name

4-{[2-(4-methoxyphenoxy)ethyl]amino}-3-nitro-2H-chromen-2-one

SMILES

COc(cc1)ccc1OCCNC(c(cccc1)c1OC1=O)=C1[N+]([O-])=O

InChI

InChI=1S/C18H16N2O6/c1-24-12-6-8-13(9-7-12)25-11-10-19-16-14-4-2-3-5-15(14)26-18(21)17(16)20(22)23/h2-9,19H,10-11H2,1H3

InChI Key

YXAWWCFMHKYPLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00553425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.028

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-3.65

Polar Surface Area

79.696

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8008-6405 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-6405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6405?
Check Price and Availability of 8008-6405, 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 8008-6405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6405
  • 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 8008-6405 available by request