F235-0977 Screening compound: N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide

F235-0977 Screening compound: N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide
F235-0977 Screening compound: N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-0977
N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-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

F235-0977

Molecular Formula

C21H22N2O (C21 H22 N2 O)

Compound Name

N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide

IUPAC name

N-(25-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide

SMILES

CCc1nc2ccccc2c(C(Nc2c(C)ccc(C)c2)=O)c1C

InChI

InChI=1S/C21H22N2O/c1-5-17-15(4)20(16-8-6-7-9-18(16)22-17)21(24)23-19-12-13(2)10-11-14(19)3/h6-12H,5H2,1-4H3,(H,23,24)

InChI Key

BHMWVTLYVRUVCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02047676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.848

Distribution Coefficient, logD

4.848

Water Solubility, LogSw

-4.83

Polar Surface Area

32.228

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F235-0977 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with F235-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-0977?
Check Price and Availability of F235-0977, 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 F235-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-0977
  • 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 F235-0977 available by request