8020-0447 Screening compound: 2-[(1E)-2-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid

8020-0447 Screening compound: 2-[(1E)-2-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid
8020-0447 Screening compound: 2-[(1E)-2-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0447
2-[(1E)-2-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid

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

8020-0447

Molecular Formula

C21H17NO6 (C21 H17 NO6)

Compound Name

2-[(1E)-2-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid

IUPAC name

2-[(1E)-2-(47-dimethoxy-2H-13-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid

SMILES

COc(c1c2OCO1)cc(/C=C/c1nc3ccccc3c(C(O)=O)c1)c2OC

InChI

InChI=1S/C21H17NO6/c1-25-17-9-12(18(26-2)20-19(17)27-11-28-20)7-8-13-10-15(21(23)24)14-5-3-4-6-16(14)22-13/h3-10H,11H2,1-2H3,(H,23,24)

InChI Key

SSBSRCKVAPPNHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

-0.017

Water Solubility, LogSw

-4.06

Polar Surface Area

69.032

Acid Dissociation Constant (pKa)

3.45

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8020-0447 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 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 8020-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0447?
Check Price and Availability of 8020-0447, 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 8020-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0447
  • 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 8020-0447 available by request