8004-3086 Screening compound: 6,7-dimethoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one

8004-3086 Screening compound: 6,7-dimethoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one
8004-3086 Screening compound: 6,7-dimethoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3086
6,7-dimethoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-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

8004-3086

Molecular Formula

C19H18O6 (C19 H18 O6)

Compound Name

6,7-dimethoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one

IUPAC name

67-dimethoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-13-dihydro-2-benzofuran-1-one

SMILES

COc(cc1)ccc1C(CC(c(c1c2OC)ccc2OC)OC1=O)=O

InChI

InChI=1S/C19H18O6/c1-22-12-6-4-11(5-7-12)14(20)10-16-13-8-9-15(23-2)18(24-3)17(13)19(21)25-16/h4-9,16H,10H2,1-3H3/t16-/m1/s1

InChI Key

OQOLRPZBTPOERH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00293079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-2.92

Polar Surface Area

58.153

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8004-3086 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8004-3086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3086?
Check Price and Availability of 8004-3086, 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 8004-3086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3086
  • 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 8004-3086 available by request