V017-4451 Screening compound: 3-CYCLOPENTYL-N-CYCLOPROPYL-8-(TRIFLUOROMETHYL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE

V017-4451 Screening compound: 3-CYCLOPENTYL-N-CYCLOPROPYL-8-(TRIFLUOROMETHYL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE
V017-4451 Screening compound: 3-CYCLOPENTYL-N-CYCLOPROPYL-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 V017-4451
3-CYCLOPENTYL-N-CYCLOPROPYL-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

V017-4451

Molecular Formula

C22H28F3N3O (C22 H28 F3 N3 O)

Compound Name

3-CYCLOPENTYL-N-CYCLOPROPYL-8-(TRIFLUOROMETHYL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C(C1)C(CN(CC2)C3CCCC3)N2c2c1cc(C(F)(F)F)cc2)NC1CC1

InChI

InChI=1S/C22H28F3N3O/c23-22(24,25)15-5-8-19-14(11-15)12-18(21(29)26-16-6-7-16)20-13-27(9-10-28(19)20)17-3-1-2-4-17/h5,8,11,16-18,20H,1-4,6-7,9-10,12-13H2,(H,26,29)

InChI Key

HYJDCEDDPYFPOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848194

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

407.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

1.624

Water Solubility, LogSw

-4.06

Polar Surface Area

30.472

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.20

V017-4451 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V017-4451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4451?
Check Price and Availability of V017-4451, 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 V017-4451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4451
  • 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 V017-4451 available by request