8020-5423 Screening compound: 4,5-dimethoxy-6-[(1E)-2-nitroethenyl]-2H-1,3-benzodioxole

8020-5423 Screening compound: 4,5-dimethoxy-6-[(1E)-2-nitroethenyl]-2H-1,3-benzodioxole
8020-5423 Screening compound: 4,5-dimethoxy-6-[(1E)-2-nitroethenyl]-2H-1,3-benzodioxole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5423
4,5-dimethoxy-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

8020-5423

Molecular Formula

C11H11NO6 (C11 H11 NO6)

Compound Name

4,5-dimethoxy-6-[(1E)-2-nitroethenyl]-2H-1,3-benzodioxole

IUPAC name

45-dimethoxy-6-[(1E)-2-nitroethenyl]-2H-13-benzodioxole

SMILES

COc1c2OCOc2cc(/C=C/[N+]([O-])=O)c1OC

InChI

InChI=1S/C11H11NO6/c1-15-9-7(3-4-12(13)14)5-8-10(11(9)16-2)18-6-17-8/h3-5H,6H2,1-2H3

InChI Key

CHIWBFZRMMGZOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23703695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.824

Distribution Coefficient, logD

1.824

Water Solubility, LogSw

-1.91

Polar Surface Area

69.731

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8020-5423 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-5423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5423?
Check Price and Availability of 8020-5423, 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 8020-5423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5423
  • 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 8020-5423 available by request