V011-5881 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide

V011-5881 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide
V011-5881 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-N-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5881
2-(2H-1,3-benzodioxol-5-yl)-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

V011-5881

Molecular Formula

C25H16F4N2O3 (C25 H16 F4 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(-c(cc2)cc3c2OCO3)nc2ccccc12)NCc(cc(C(F)(F)F)cc1)c1F

InChI

InChI=1S/C25H16F4N2O3/c26-19-7-6-16(25(27,28)29)9-15(19)12-30-24(32)18-11-21(31-20-4-2-1-3-17(18)20)14-5-8-22-23(10-14)34-13-33-22/h1-11H,12-13H2,(H,30,32)

InChI Key

MMPBSOKKAORWIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960901

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.41

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

6.638

Distribution Coefficient, logD

6.637

Water Solubility, LogSw

-6.46

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

V011-5881 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V011-5881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5881?
Check Price and Availability of V011-5881, 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 V011-5881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5881
  • 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 V011-5881 available by request