L454-0472 Screening compound: N-butyl-N-ethyl-6-(3-fluorophenyl)pyridine-3-carboxamide

L454-0472 Screening compound: N-butyl-N-ethyl-6-(3-fluorophenyl)pyridine-3-carboxamide
L454-0472 Screening compound: N-butyl-N-ethyl-6-(3-fluorophenyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L454-0472
N-butyl-N-ethyl-6-(3-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

L454-0472

Molecular Formula

C18H21FN2O (C18 H21 FN2 O)

Compound Name

N-butyl-N-ethyl-6-(3-fluorophenyl)pyridine-3-carboxamide

IUPAC name

N-butyl-N-ethyl-6-(3-fluorophenyl)pyridine-3-carboxamide

SMILES

CCCCN(CC)C(c(cc1)cnc1-c1cccc(F)c1)=O

InChI

InChI=1S/C18H21FN2O/c1-3-5-11-21(4-2)18(22)15-9-10-17(20-13-15)14-7-6-8-16(19)12-14/h6-10,12-13H,3-5,11H2,1-2H3

InChI Key

DDQJBPISARUECT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.02

Polar Surface Area

25.290

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L454-0472 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with L454-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L454-0472?
Check Price and Availability of L454-0472, 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 L454-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L454-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L454-0472
  • 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 L454-0472 available by request