V017-4485 Screening compound: N-CYCLOPROPYL-3-(FURAN-2-CARBONYL)-8-(TRIFLUOROMETHYL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE

V017-4485 Screening compound: N-CYCLOPROPYL-3-(FURAN-2-CARBONYL)-8-(TRIFLUOROMETHYL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE
V017-4485 Screening compound: N-CYCLOPROPYL-3-(FURAN-2-CARBONYL)-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 V017-4485
N-CYCLOPROPYL-3-(FURAN-2-CARBONYL)-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

V017-4485

Molecular Formula

C22H22F3N3O3 (C22 H22 F3 N3 O3)

Compound Name

N-CYCLOPROPYL-3-(FURAN-2-CARBONYL)-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)C(c3ccco3)=O)N2c2c1cc(C(F)(F)F)cc2)NC1CC1

InChI

InChI=1S/C22H22F3N3O3/c23-22(24,25)14-3-6-17-13(10-14)11-16(20(29)26-15-4-5-15)18-12-27(7-8-28(17)18)21(30)19-2-1-9-31-19/h1-3,6,9-10,15-16,18H,4-5,7-8,11-12H2,(H,26,29)

InChI Key

FMOWJXNTNHCUPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.34

Polar Surface Area

52.047

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

V017-4485 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-4485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4485?
Check Price and Availability of V017-4485, 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 V017-4485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4485
  • 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 V017-4485 available by request