8015-9789 Screening compound: 4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-1-(2-oxo-2-phenylethyl)hexahydropyridinium

8015-9789 Screening compound: 4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-1-(2-oxo-2-phenylethyl)hexahydropyridinium
8015-9789 Screening compound: 4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-1-(2-oxo-2-phenylethyl)hexahydropyridinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9789
4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-1-(2-oxo-2-phenylethyl)hexahydropyridinium

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

8015-9789

Molecular Formula

C23H27N2O3 (C23 H27 N2 O3)

Compound Name

4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-1-(2-oxo-2-phenylethyl)hexahydropyridinium

IUPAC name

n/a

SMILES

C[N+](CC(c1ccccc1)=O)(CC1)CCC1(c(cc1)cc(OC)c1OC)C#N

InChI

InChI=1S/C23H27N2O3/c1-25(16-20(26)18-7-5-4-6-8-18)13-11-23(17-24,12-14-25)19-9-10-21(27-2)22(15-19)28-3/h4-10,15H,11-14,16H2,1-3H3/q+1

InChI Key

HECGNBZLXAFXAD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-2.75

Polar Surface Area

45.937

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

-8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 8015-9789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9789?
Check Price and Availability of 8015-9789, 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 8015-9789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9789
  • 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 8015-9789 available by request