V003-0087 Screening compound: 3-benzyl-N-cyclohexyl-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V003-0087 Screening compound: 3-benzyl-N-cyclohexyl-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V003-0087 Screening compound: 3-benzyl-N-cyclohexyl-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 V003-0087
3-benzyl-N-cyclohexyl-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

V003-0087

Molecular Formula

C27H32F3N3O (C27 H32 F3 N3 O)

Compound Name

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

IUPAC name

3-benzyl-N-cyclohexyl-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(Cc2ccccc2)CC2)N2c2c1cc(C(F)(F)F)cc2)NC1CCCCC1

InChI

InChI=1S/C27H32F3N3O/c28-27(29,30)21-11-12-24-20(15-21)16-23(26(34)31-22-9-5-2-6-10-22)25-18-32(13-14-33(24)25)17-19-7-3-1-4-8-19/h1,3-4,7-8,11-12,15,22-23,25H,2,5-6,9-10,13-14,16-18H2,(H,31,34)

InChI Key

BCYNWSGEAWBBGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853227

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-5.63

Polar Surface Area

30.222

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

V003-0087 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0087?
Check Price and Availability of V003-0087, 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 V003-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0087
  • 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 V003-0087 available by request