V017-4450 Screening compound: 3-(2-PHENYLETHYL)-N-(PROP-2-EN-1-YL)-8-(TRIFLUOROMETHYL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE

V017-4450 Screening compound: 3-(2-PHENYLETHYL)-N-(PROP-2-EN-1-YL)-8-(TRIFLUOROMETHYL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE
V017-4450 Screening compound: 3-(2-PHENYLETHYL)-N-(PROP-2-EN-1-YL)-8-(TRIFLUOROMETHYL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4450
3-(2-PHENYLETHYL)-N-(PROP-2-EN-1-YL)-8-(TRIFLUOROMETHYL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-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

V017-4450

Molecular Formula

C25H28F3N3O (C25 H28 F3 N3 O)

Compound Name

3-(2-PHENYLETHYL)-N-(PROP-2-EN-1-YL)-8-(TRIFLUOROMETHYL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE

IUPAC name

n/a

SMILES

C=CCNC(C(C1)C(CN(CCc2ccccc2)CC2)N2c2c1cc(C(F)(F)F)cc2)=O

InChI

InChI=1S/C25H28F3N3O/c1-2-11-29-24(32)21-16-19-15-20(25(26,27)28)8-9-22(19)31-14-13-30(17-23(21)31)12-10-18-6-4-3-5-7-18/h2-9,15,21,23H,1,10-14,16-17H2,(H,29,32)

InChI Key

LHIMMLBBKMPFKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848435

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

3.047

Water Solubility, LogSw

-4.25

Polar Surface Area

30.588

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

V017-4450 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bromodomain Modulators Library (5801 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V017-4450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4450?
Check Price and Availability of V017-4450, 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 V017-4450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4450
  • 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 V017-4450 available by request