8019-6900 Screening compound: 4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile

8019-6900 Screening compound: 4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile
8019-6900 Screening compound: 4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6900
4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile

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

8019-6900

Molecular Formula

C10H9NO4 (C10 H9 NO4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1C#N)c2OCOc2c1OC

InChI

InChI=1S/C10H9NO4/c1-12-7-3-6(4-11)8(13-2)10-9(7)14-5-15-10/h3H,5H2,1-2H3

InChI Key

USZUVPNYVSWLNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.19

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

1.709

Distribution Coefficient, logD

1.709

Water Solubility, LogSw

-2.06

Polar Surface Area

49.126

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8019-6900 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8019-6900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6900?
Check Price and Availability of 8019-6900, 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 8019-6900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6900
  • 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 8019-6900 available by request