8009-0804 Screening compound: methyl (2Z)-2-cyano-3-(naphthalen-1-yl)prop-2-enoate

8009-0804 Screening compound: methyl (2Z)-2-cyano-3-(naphthalen-1-yl)prop-2-enoate
8009-0804 Screening compound: methyl (2Z)-2-cyano-3-(naphthalen-1-yl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0804
methyl (2Z)-2-cyano-3-(naphthalen-1-yl)prop-2-enoate

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

8009-0804

Molecular Formula

C15H11NO2 (C15 H11 NO2)

Compound Name

methyl (2Z)-2-cyano-3-(naphthalen-1-yl)prop-2-enoate

IUPAC name

methyl (2Z)-2-cyano-3-(naphthalen-1-yl)prop-2-enoate

SMILES

COC(/C(/C#N)=C\c1cccc2ccccc12)=O

InChI

InChI=1S/C15H11NO2/c1-18-15(17)13(10-16)9-12-7-4-6-11-5-2-3-8-14(11)12/h2-9H,1H3

InChI Key

SKXSARWCVFRQRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00832581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.58

Polar Surface Area

38.197

Acid Dissociation Constant (pKa)

34.04

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8009-0804 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool
  • Fragments
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8009-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0804?
Check Price and Availability of 8009-0804, 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 8009-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0804
  • 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 8009-0804 available by request