8019-6586 Screening compound: 2-[(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile

8019-6586 Screening compound: 2-[(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
8019-6586 Screening compound: 2-[(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6586
2-[(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile

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

8019-6586

Molecular Formula

C16H16N2O4 (C16 H16 N2 O4)

Compound Name

2-[(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile

IUPAC name

2-[(47-dimethoxy-6-propyl-2H-13-benzodioxol-5-yl)methylidene]propanedinitrile

SMILES

CCCc1c(C=C(C#N)C#N)c(OC)c2OCOc2c1OC

InChI

InChI=1S/C16H16N2O4/c1-4-5-11-12(6-10(7-17)8-18)14(20-3)16-15(13(11)19-2)21-9-22-16/h6H,4-5,9H2,1-3H3

InChI Key

KQEAHDJGHFUQRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.68

Polar Surface Area

66.269

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8019-6586 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 8019-6586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6586?
Check Price and Availability of 8019-6586, 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 8019-6586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6586
  • 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 8019-6586 available by request