8019-8424 Screening compound: (2E)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one

8019-8424 Screening compound: (2E)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one
8019-8424 Screening compound: (2E)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8424
(2E)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(2-fluoro-4-methoxyphenyl)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

8019-8424

Molecular Formula

C19H17FO6 (C19 H17 FO6)

Compound Name

(2E)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one

IUPAC name

(2E)-3-(47-dimethoxy-2H-13-benzodioxol-5-yl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one

SMILES

COc(cc1)cc(F)c1C(/C=C/c(cc(c1c2OCO1)OC)c2OC)=O

InChI

InChI=1S/C19H17FO6/c1-22-12-5-6-13(14(20)9-12)15(21)7-4-11-8-16(23-2)18-19(17(11)24-3)26-10-25-18/h4-9H,10H2,1-3H3

InChI Key

TYTHACNCZSLKCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.616

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-3.87

Polar Surface Area

52.589

Acid Dissociation Constant (pKa)

33.05

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8019-8424 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8424?
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What is the minimum amount of 8019-8424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8424
  • 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 8019-8424 available by request