8020-5422 Screening compound: 4-methoxy-6-[(1E)-2-nitroethenyl]-2H-1,3-benzodioxole

8020-5422 Screening compound: 4-methoxy-6-[(1E)-2-nitroethenyl]-2H-1,3-benzodioxole
8020-5422 Screening compound: 4-methoxy-6-[(1E)-2-nitroethenyl]-2H-1,3-benzodioxole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5422
4-methoxy-6-[(1E)-2-nitroethenyl]-2H-1,3-benzodioxole

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

8020-5422

Molecular Formula

C10H9NO5 (C10 H9 NO5)

Compound Name

4-methoxy-6-[(1E)-2-nitroethenyl]-2H-1,3-benzodioxole

IUPAC name

4-methoxy-6-[(1E)-2-nitroethenyl]-2H-13-benzodioxole

SMILES

COc1c2OCOc2cc(/C=C/[N+]([O-])=O)c1

InChI

InChI=1S/C10H9NO5/c1-14-8-4-7(2-3-11(12)13)5-9-10(8)16-6-15-9/h2-5H,6H2,1H3

InChI Key

XMXLXUDKGGRTAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03410779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.047

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-2.18

Polar Surface Area

61.928

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8020-5422 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-5422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5422?
Check Price and Availability of 8020-5422, 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 8020-5422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5422
  • 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 8020-5422 available by request