8020-2392 Screening compound: 4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carbaldehyde

8020-2392 Screening compound: 4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carbaldehyde
8020-2392 Screening compound: 4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2392
4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carbaldehyde

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

8020-2392

Molecular Formula

C10H9NO7 (C10 H9 NO7)

Compound Name

4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carbaldehyde

IUPAC name

47-dimethoxy-6-nitro-2H-13-benzodioxole-5-carbaldehyde

SMILES

COc(c1c2OCO1)c(C=O)c([N+]([O-])=O)c2OC

InChI

InChI=1S/C10H9NO7/c1-15-7-5(3-12)6(11(13)14)8(16-2)10-9(7)17-4-18-10/h3H,4H2,1-2H3

InChI Key

PAAPEFSDTHDZHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.18

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.538

Distribution Coefficient, logD

1.538

Water Solubility, LogSw

-1.50

Polar Surface Area

79.095

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8020-2392 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8020-2392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2392?
Check Price and Availability of 8020-2392, 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 8020-2392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2392
  • 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 8020-2392 available by request