V012-0243 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide

V012-0243 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide
V012-0243 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0243
2-(2H-1,3-benzodioxol-5-yl)-N-{[4-(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

V012-0243

Molecular Formula

C25H17F3N2O3 (C25 H17 F3 N2 O3)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide

IUPAC name

2-(2H-13-benzodioxol-5-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide

SMILES

O=C(c1cc(-c(cc2)cc3c2OCO3)nc2ccccc12)NCc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C25H17F3N2O3/c26-25(27,28)17-8-5-15(6-9-17)13-29-24(31)19-12-21(30-20-4-2-1-3-18(19)20)16-7-10-22-23(11-16)33-14-32-22/h1-12H,13-14H2,(H,29,31)

InChI Key

NZBPLEHEOKWILP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960805

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.191

Distribution Coefficient, logD

6.190

Water Solubility, LogSw

-6.31

Polar Surface Area

49.826

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

V012-0243 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V012-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0243?
Check Price and Availability of V012-0243, 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 V012-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0243
  • 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 V012-0243 available by request