V012-8277 Screening compound: N-phenyl-3-(2-phenylethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V012-8277 Screening compound: N-phenyl-3-(2-phenylethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V012-8277 Screening compound: N-phenyl-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 V012-8277
N-phenyl-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

V012-8277

Molecular Formula

C28H28F3N3O (C28 H28 F3 N3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C1)C(CN(CCc2ccccc2)CC2)N2c2c1cc(C(F)(F)F)cc2)Nc1ccccc1

InChI

InChI=1S/C28H28F3N3O/c29-28(30,31)22-11-12-25-21(17-22)18-24(27(35)32-23-9-5-2-6-10-23)26-19-33(15-16-34(25)26)14-13-20-7-3-1-4-8-20/h1-12,17,24,26H,13-16,18-19H2,(H,32,35)

InChI Key

WVMBOVLKZUQLQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848173

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.433

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-5.69

Polar Surface Area

29.153

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

V012-8277 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 V012-8277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-8277?
Check Price and Availability of V012-8277, 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 V012-8277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-8277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-8277
  • 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 V012-8277 available by request