8007-4706 Screening compound: methyl 5-(2-cyanophenoxy)-4-oxopentanoate

8007-4706 Screening compound: methyl 5-(2-cyanophenoxy)-4-oxopentanoate
8007-4706 Screening compound: methyl 5-(2-cyanophenoxy)-4-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4706
methyl 5-(2-cyanophenoxy)-4-oxopentanoate

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

8007-4706

Molecular Formula

C13H13NO4 (C13 H13 NO4)

Compound Name

methyl 5-(2-cyanophenoxy)-4-oxopentanoate

IUPAC name

methyl 5-(2-cyanophenoxy)-4-oxopentanoate

SMILES

COC(CCC(COc(cccc1)c1C#N)=O)=O

InChI

InChI=1S/C13H13NO4/c1-17-13(16)7-6-11(15)9-18-12-5-3-2-4-10(12)8-14/h2-5H,6-7,9H2,1H3

InChI Key

IEULKCAYTBBXJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01202946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.253

Distribution Coefficient, logD

1.253

Water Solubility, LogSw

-2.02

Polar Surface Area

58.215

Acid Dissociation Constant (pKa)

21.20

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8007-4706 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8007-4706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4706?
Check Price and Availability of 8007-4706, 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 8007-4706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4706
  • 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 8007-4706 available by request