8020-4893 Screening compound: (2Z)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

8020-4893 Screening compound: (2Z)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
8020-4893 Screening compound: (2Z)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4893
(2Z)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

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

8020-4893

Molecular Formula

C20H19NO6 (C20 H19 NO6)

Compound Name

(2Z)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

IUPAC name

(2Z)-3-(7-methoxy-2H-13-benzodioxol-5-yl)-2-(345-trimethoxyphenyl)prop-2-enenitrile

SMILES

COc1c2OCOc2cc(/C=C(/c(cc2OC)cc(OC)c2OC)\C#N)c1

InChI

InChI=1S/C20H19NO6/c1-22-15-6-12(7-18-20(15)27-11-26-18)5-14(10-21)13-8-16(23-2)19(25-4)17(9-13)24-3/h5-9H,11H2,1-4H3

InChI Key

DBEOZXYRHRZKBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.72

Polar Surface Area

64.431

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8020-4893 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8020-4893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4893?
Check Price and Availability of 8020-4893, 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 8020-4893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4893
  • 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 8020-4893 available by request