V017-8189 Screening compound: N~5~-(cyclopropylmethyl)-3-(2-pyrazinyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide

V017-8189 Screening compound: N~5~-(cyclopropylmethyl)-3-(2-pyrazinyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
V017-8189 Screening compound: N~5~-(cyclopropylmethyl)-3-(2-pyrazinyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8189
N~5~-(cyclopropylmethyl)-3-(2-pyrazinyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-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

V017-8189

Molecular Formula

C22H24F3N5O (C22 H24 F3 N5 O)

Compound Name

N~5~-(cyclopropylmethyl)-3-(2-pyrazinyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

n/a

SMILES

O=C(C(C1)C(CN(CC2)c3nccnc3)N2c2c1cc(C(F)(F)F)cc2)NCC1CC1

InChI

InChI=1S/C22H24F3N5O/c23-22(24,25)16-3-4-18-15(9-16)10-17(21(31)28-11-14-1-2-14)19-13-29(7-8-30(18)19)20-12-26-5-6-27-20/h3-6,9,12,14,17,19H,1-2,7-8,10-11,13H2,(H,28,31)

InChI Key

RAYHVZXBLNAFET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.548

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.53

Polar Surface Area

48.769

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

V017-8189 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V017-8189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8189?
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What is the minimum amount of V017-8189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8189
  • 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 V017-8189 available by request