8006-8042 Screening compound: 2-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]benzonitrile

8006-8042 Screening compound: 2-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]benzonitrile
8006-8042 Screening compound: 2-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8042
2-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]benzonitrile

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

8006-8042

Molecular Formula

C17H15NO4 (C17 H15 NO4)

Compound Name

2-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]benzonitrile

IUPAC name

2-[2-(25-dimethoxyphenyl)-2-oxoethoxy]benzonitrile

SMILES

COc(cc1)cc(C(COc(cccc2)c2C#N)=O)c1OC

InChI

InChI=1S/C17H15NO4/c1-20-13-7-8-17(21-2)14(9-13)15(19)11-22-16-6-4-3-5-12(16)10-18/h3-9H,11H2,1-2H3

InChI Key

FUIKNNGSYXYUPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00763945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.840

Distribution Coefficient, logD

2.840

Water Solubility, LogSw

-3.43

Polar Surface Area

53.030

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8006-8042 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-8042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8042?
Check Price and Availability of 8006-8042, 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 8006-8042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8042
  • 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 8006-8042 available by request