L454-0171 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4-fluorophenyl)pyridine-3-carboxamide

L454-0171 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4-fluorophenyl)pyridine-3-carboxamide
L454-0171 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4-fluorophenyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L454-0171
N-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4-fluorophenyl)pyridine-3-carboxamide

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

L454-0171

Molecular Formula

C20H21FN2O (C20 H21 FN2 O)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4-fluorophenyl)pyridine-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4-fluorophenyl)pyridine-3-carboxamide

SMILES

O=C(c(cc1)cnc1-c(cc1)ccc1F)NCCC1=CCCCC1

InChI

InChI=1S/C20H21FN2O/c21-18-9-6-16(7-10-18)19-11-8-17(14-23-19)20(24)22-13-12-15-4-2-1-3-5-15/h4,6-11,14H,1-3,5,12-13H2,(H,22,24)

InChI Key

YYYAQYXSUSJFET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.225

Distribution Coefficient, logD

4.225

Water Solubility, LogSw

-4.21

Polar Surface Area

33.551

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L454-0171 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L454-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L454-0171?
Check Price and Availability of L454-0171, 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 L454-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L454-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L454-0171
  • 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 L454-0171 available by request