8019-9938 Screening compound: (2E)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)prop-2-en-1-one

8019-9938 Screening compound: (2E)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)prop-2-en-1-one
8019-9938 Screening compound: (2E)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9938
(2E)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)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

8019-9938

Molecular Formula

C18H15FO5 (C18 H15 FO5)

Compound Name

(2E)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)prop-2-en-1-one

IUPAC name

(2E)-3-(67-dimethoxy-2H-13-benzodioxol-5-yl)-1-(2-fluorophenyl)prop-2-en-1-one

SMILES

COc1c2OCOc2cc(/C=C/C(c(cccc2)c2F)=O)c1OC

InChI

InChI=1S/C18H15FO5/c1-21-16-11(9-15-17(18(16)22-2)24-10-23-15)7-8-14(20)12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3

InChI Key

LIHSZWJRZBTFEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.474

Distribution Coefficient, logD

3.474

Water Solubility, LogSw

-3.80

Polar Surface Area

45.448

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8019-9938 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 8019-9938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9938?
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What is the minimum amount of 8019-9938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9938
  • 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 8019-9938 available by request