V015-0521 Screening compound: N-(4-methoxyphenyl)-3-(2-phenylethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V015-0521 Screening compound: N-(4-methoxyphenyl)-3-(2-phenylethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V015-0521 Screening compound: N-(4-methoxyphenyl)-3-(2-phenylethyl)-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 V015-0521
N-(4-methoxyphenyl)-3-(2-phenylethyl)-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

V015-0521

Molecular Formula

C29H30F3N3O2 (C29 H30 F3 N3 O2)

Compound Name

N-(4-methoxyphenyl)-3-(2-phenylethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

N-(4-methoxyphenyl)-3-(2-phenylethyl)-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

COc(cc1)ccc1NC(C(C1)C(CN(CCc2ccccc2)CC2)N2c2c1cc(C(F)(F)F)cc2)=O

InChI

InChI=1S/C29H30F3N3O2/c1-37-24-10-8-23(9-11-24)33-28(36)25-18-21-17-22(29(30,31)32)7-12-26(21)35-16-15-34(19-27(25)35)14-13-20-5-3-2-4-6-20/h2-12,17,25,27H,13-16,18-19H2,1H3,(H,33,36)

InChI Key

SNBZYKGSARCDRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848177

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.607

Distribution Coefficient, logD

4.453

Water Solubility, LogSw

-5.23

Polar Surface Area

36.697

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

V015-0521 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V015-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0521?
Check Price and Availability of V015-0521, 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 V015-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0521
  • 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 V015-0521 available by request