8020-1995 Screening compound: 4,7-dimethoxy-5-nitro-2H-1,3-benzodioxole

8020-1995 Screening compound: 4,7-dimethoxy-5-nitro-2H-1,3-benzodioxole
8020-1995 Screening compound: 4,7-dimethoxy-5-nitro-2H-1,3-benzodioxole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1995
4,7-dimethoxy-5-nitro-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

8020-1995

Molecular Formula

C9H9NO6 (C9 H9 NO6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C9H9NO6/c1-13-6-3-5(10(11)12)7(14-2)9-8(6)15-4-16-9/h3H,4H2,1-2H3

InChI Key

IJTDXDMPPIHKCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.17

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.593

Distribution Coefficient, logD

1.593

Water Solubility, LogSw

-1.86

Polar Surface Area

65.150

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8020-1995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1995?
Check Price and Availability of 8020-1995, 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 8020-1995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1995
  • 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 8020-1995 available by request