8020-1217 Screening compound: (2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one

8020-1217 Screening compound: (2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
8020-1217 Screening compound: (2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1217
(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one

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

8020-1217

Molecular Formula

C17H14O4 (C17 H14 O4)

Compound Name

(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one

IUPAC name

(2E)-3-(23-dihydro-14-benzodioxin-6-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one

SMILES

Oc1cccc(C(/C=C/c(cc2)cc3c2OCCO3)=O)c1

InChI

InChI=1S/C17H14O4/c18-14-3-1-2-13(11-14)15(19)6-4-12-5-7-16-17(10-12)21-9-8-20-16/h1-7,10-11,18H,8-9H2

InChI Key

HSQFWCRQYCGDOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07269010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.569

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-2.50

Polar Surface Area

46.654

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8020-1217 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1217?
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What is the minimum amount of 8020-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1217
  • 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 8020-1217 available by request