8020-8798 Screening compound: 2-methoxy-5-[(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenoyl]phenyl acetate

8020-8798 Screening compound: 2-methoxy-5-[(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenoyl]phenyl acetate
8020-8798 Screening compound: 2-methoxy-5-[(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenoyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8798
2-methoxy-5-[(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenoyl]phenyl acetate

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

8020-8798

Molecular Formula

C20H18O7 (C20 H18 O7)

Compound Name

2-methoxy-5-[(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenoyl]phenyl acetate

IUPAC name

2-methoxy-5-[(2E)-3-(7-methoxy-2H-13-benzodioxol-5-yl)prop-2-enoyl]phenyl acetate

SMILES

CC(Oc(cc(cc1)C(/C=C/c2cc(OC)c3OCOc3c2)=O)c1OC)=O

InChI

InChI=1S/C20H18O7/c1-12(21)27-17-10-14(5-7-16(17)23-2)15(22)6-4-13-8-18(24-3)20-19(9-13)25-11-26-20/h4-10H,11H2,1-3H3

InChI Key

WZOSCOZVNOHOFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31537604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.200

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-3.28

Polar Surface Area

66.112

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8020-8798 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8020-8798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8798?
Check Price and Availability of 8020-8798, 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 8020-8798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8798
  • 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 8020-8798 available by request