V017-8687 Screening compound: 9-METHOXY-N-[2-(PIPERIDIN-1-YL)ETHYL]-3-(PYRAZIN-2-YL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE

V017-8687 Screening compound: 9-METHOXY-N-[2-(PIPERIDIN-1-YL)ETHYL]-3-(PYRAZIN-2-YL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE
V017-8687 Screening compound: 9-METHOXY-N-[2-(PIPERIDIN-1-YL)ETHYL]-3-(PYRAZIN-2-YL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8687
9-METHOXY-N-[2-(PIPERIDIN-1-YL)ETHYL]-3-(PYRAZIN-2-YL)-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

V017-8687

Molecular Formula

C25H34N6O2 (C25 H34 N6 O2)

Compound Name

9-METHOXY-N-[2-(PIPERIDIN-1-YL)ETHYL]-3-(PYRAZIN-2-YL)-1H,2H,3H,4H,4AH,5H,6H-PYRAZINO[1,2-A]QUINOLINE-5-CARBOXAMIDE

IUPAC name

9-methoxy-N-[2-(piperidin-1-yl)ethyl]-3-(pyrazin-2-yl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

COc1cc(N(CCN(C2)c3nccnc3)C2C(C2)C(NCCN3CCCCC3)=O)c2cc1

InChI

InChI=1S/C25H34N6O2/c1-33-20-6-5-19-15-21(25(32)28-9-12-29-10-3-2-4-11-29)23-18-30(24-17-26-7-8-27-24)13-14-31(23)22(19)16-20/h5-8,16-17,21,23H,2-4,9-15,18H2,1H3,(H,28,32)

InChI Key

RKMBHUZGNSIFCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.755

Distribution Coefficient, logD

0.947

Water Solubility, LogSw

-3.02

Polar Surface Area

59.614

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.00

V017-8687 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V017-8687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8687?
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What is the minimum amount of V017-8687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8687
  • 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 V017-8687 available by request