V009-2086 Screening compound: N-[3-(morpholin-4-yl)propyl]-3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V009-2086 Screening compound: N-[3-(morpholin-4-yl)propyl]-3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V009-2086 Screening compound: N-[3-(morpholin-4-yl)propyl]-3-(pyrimidin-2-yl)-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 V009-2086
N-[3-(morpholin-4-yl)propyl]-3-(pyrimidin-2-yl)-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

V009-2086

Molecular Formula

C25H31F3N6O2 (C25 H31 F3 N6 O2)

Compound Name

N-[3-(morpholin-4-yl)propyl]-3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-3-(pyrimidin-2-yl)-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(CC2)c3ncccn3)N2c2c1cc(C(F)(F)F)cc2)NCCCN1CCOCC1

InChI

InChI=1S/C25H31F3N6O2/c26-25(27,28)19-3-4-21-18(15-19)16-20(23(35)29-7-2-8-32-11-13-36-14-12-32)22-17-33(9-10-34(21)22)24-30-5-1-6-31-24/h1,3-6,15,20,22H,2,7-14,16-17H2,(H,29,35)

InChI Key

CPYRVTMKQBVJDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853246

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

504.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-3.13

Polar Surface Area

60.312

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.00

V009-2086 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V009-2086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-2086?
Check Price and Availability of V009-2086, 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 V009-2086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-2086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-2086
  • 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 V009-2086 available by request