8020-0400 Screening compound: 6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl cyanide

8020-0400 Screening compound: 6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl cyanide
8020-0400 Screening compound: 6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0400
6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl cyanide

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

8020-0400

Molecular Formula

C10H8BrNO4 (C10 H8 BrNO4)

Compound Name

6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl cyanide

IUPAC name

6-bromo-47-dimethoxy-2H-13-benzodioxole-5-carbonitrile

SMILES

COc(c(C#N)c1Br)c2OCOc2c1OC

InChI

InChI=1S/C10H8BrNO4/c1-13-7-5(3-12)6(11)8(14-2)10-9(7)15-4-16-10/h4H2,1-2H3

InChI Key

QEBSGPAPUKAXNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.319

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-2.06

Polar Surface Area

49.213

Acid Dissociation Constant (pKa)

33.05

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8020-0400 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0400?
Check Price and Availability of 8020-0400, 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 8020-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0400
  • 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 8020-0400 available by request