3856-0220 Screening compound: 3-(heptyloxy)-3-phenyl-1(3H)-isobenzofuranone

3856-0220 Screening compound: 3-(heptyloxy)-3-phenyl-1(3H)-isobenzofuranone
3856-0220 Screening compound: 3-(heptyloxy)-3-phenyl-1(3H)-isobenzofuranone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3856-0220
3-(heptyloxy)-3-phenyl-1(3H)-isobenzofuranone

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

3856-0220

Molecular Formula

C21H24O3 (C21 H24 O3)

Compound Name

3-(heptyloxy)-3-phenyl-1(3H)-isobenzofuranone

IUPAC name

n/a

SMILES

CCCCCCCOC(c1c2cccc1)(c1ccccc1)OC2=O

InChI

InChI=1S/C21H24O3/c1-2-3-4-5-11-16-23-21(17-12-7-6-8-13-17)19-15-10-9-14-18(19)20(22)24-21/h6-10,12-15H,2-5,11,16H2,1H3/t21-/m1/s1

InChI Key

KHSAIRWSAIACLJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01203224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.094

Distribution Coefficient, logD

6.094

Water Solubility, LogSw

-5.57

Polar Surface Area

28.688

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

3856-0220 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

DGK Inhibitors Library (10558 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3856-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3856-0220?
Check Price and Availability of 3856-0220, 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 3856-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3856-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3856-0220
  • 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 3856-0220 available by request