8008-6479 Screening compound: 2-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)propanedinitrile

8008-6479 Screening compound: 2-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)propanedinitrile
8008-6479 Screening compound: 2-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6479
2-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)propanedinitrile

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

8008-6479

Molecular Formula

C22H16N2O2 (C22 H16 N2 O2)

Compound Name

2-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)propanedinitrile

IUPAC name

2-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)propanedinitrile

SMILES

COc(cc(C=C(C#N)C#N)cc1)c1OCc1cccc2ccccc12

InChI

InChI=1S/C22H16N2O2/c1-25-22-12-16(11-17(13-23)14-24)9-10-21(22)26-15-19-7-4-6-18-5-2-3-8-20(18)19/h2-12H,15H2,1H3

InChI Key

BGNIBVNSJWRPMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01155457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.62

Polar Surface Area

49.024

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8008-6479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6479?
Check Price and Availability of 8008-6479, 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 8008-6479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6479
  • 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 8008-6479 available by request