8016-0583 Screening compound: 1-[2-furyl(2-methoxyphenyl)methyl]-2-oxobutyl cyanide

8016-0583 Screening compound: 1-[2-furyl(2-methoxyphenyl)methyl]-2-oxobutyl cyanide
8016-0583 Screening compound: 1-[2-furyl(2-methoxyphenyl)methyl]-2-oxobutyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0583
1-[2-furyl(2-methoxyphenyl)methyl]-2-oxobutyl cyanide

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

8016-0583

Molecular Formula

C17H17NO3 (C17 H17 NO3)

Compound Name

1-[2-furyl(2-methoxyphenyl)methyl]-2-oxobutyl cyanide

IUPAC name

2-[(furan-2-yl)(2-methoxyphenyl)methyl]-3-oxopentanenitrile

SMILES

CCC(C(C(c1ccco1)c(cccc1)c1OC)C#N)=O

InChI

InChI=1S/C17H17NO3/c1-3-14(19)13(11-18)17(16-9-6-10-21-16)12-7-4-5-8-15(12)20-2/h4-10,13,17H,3H2,1-2H3

InChI Key

YCRNBNOENAWLRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03921276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-3.07

Polar Surface Area

46.479

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-9.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with 8016-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0583?
Check Price and Availability of 8016-0583, 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 8016-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0583
  • 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 8016-0583 available by request