V031-0849 Screening compound: 2-(4-ethoxyphenyl)-N-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide

V031-0849 Screening compound: 2-(4-ethoxyphenyl)-N-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide
V031-0849 Screening compound: 2-(4-ethoxyphenyl)-N-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0849
2-(4-ethoxyphenyl)-N-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}quinoline-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

V031-0849

Molecular Formula

C26H20F4N2O2 (C26 H20 F4 N2 O2)

Compound Name

2-(4-ethoxyphenyl)-N-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide

IUPAC name

2-(4-ethoxyphenyl)-N-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide

SMILES

CCOc(cc1)ccc1-c1nc2ccccc2c(C(NCc(cc(C(F)(F)F)cc2)c2F)=O)c1

InChI

InChI=1S/C26H20F4N2O2/c1-2-34-19-10-7-16(8-11-19)24-14-21(20-5-3-4-6-23(20)32-24)25(33)31-15-17-13-18(26(28,29)30)9-12-22(17)27/h3-14H,2,15H2,1H3,(H,31,33)

InChI Key

OSKCQDMGIOPRNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960885

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.209

Distribution Coefficient, logD

7.209

Water Solubility, LogSw

-5.96

Polar Surface Area

39.835

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

V031-0849 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V031-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0849?
Check Price and Availability of V031-0849, 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 V031-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0849
  • 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 V031-0849 available by request