8019-9070 Screening compound: (2E)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one

8019-9070 Screening compound: (2E)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one
8019-9070 Screening compound: (2E)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9070
(2E)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1-phenylprop-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

8019-9070

Molecular Formula

C17H14O4 (C17 H14 O4)

Compound Name

(2E)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one

IUPAC name

(2E)-3-(7-methoxy-2H-13-benzodioxol-5-yl)-1-phenylprop-2-en-1-one

SMILES

COc1c2OCOc2cc(/C=C/C(c2ccccc2)=O)c1

InChI

InChI=1S/C17H14O4/c1-19-15-9-12(10-16-17(15)21-11-20-16)7-8-14(18)13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChI Key

LRIAHNHTCDTBLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.53

Polar Surface Area

37.644

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8019-9070 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8019-9070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9070?
Check Price and Availability of 8019-9070, 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 8019-9070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9070
  • 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 8019-9070 available by request