V002-0873 Screening compound: N-cyclohexyl-3-(2-phenoxyethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V002-0873 Screening compound: N-cyclohexyl-3-(2-phenoxyethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V002-0873 Screening compound: N-cyclohexyl-3-(2-phenoxyethyl)-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 V002-0873
N-cyclohexyl-3-(2-phenoxyethyl)-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

V002-0873

Molecular Formula

C28H34F3N3O2 (C28 H34 F3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C1)C(CN(CCOc2ccccc2)CC2)N2c2c1cc(C(F)(F)F)cc2)NC1CCCCC1

InChI

InChI=1S/C28H34F3N3O2/c29-28(30,31)21-11-12-25-20(17-21)18-24(27(35)32-22-7-3-1-4-8-22)26-19-33(13-14-34(25)26)15-16-36-23-9-5-2-6-10-23/h2,5-6,9-12,17,22,24,26H,1,3-4,7-8,13-16,18-19H2,(H,32,35)

InChI Key

LPDJEUBNJJYJDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853379

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.59

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

5.703

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-5.68

Polar Surface Area

37.618

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.60

V002-0873 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V002-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0873?
Check Price and Availability of V002-0873, 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 V002-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0873
  • 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 V002-0873 available by request