V001-9319 Screening compound: 3-(2-cyanophenyl)-N-[2-(morpholin-4-yl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V001-9319 Screening compound: 3-(2-cyanophenyl)-N-[2-(morpholin-4-yl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V001-9319 Screening compound: 3-(2-cyanophenyl)-N-[2-(morpholin-4-yl)ethyl]-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 V001-9319
3-(2-cyanophenyl)-N-[2-(morpholin-4-yl)ethyl]-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

V001-9319

Molecular Formula

C27H30F3N5O2 (C27 H30 F3 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cccc1)c1N(CC1)CC(C(C2)C(NCCN3CCOCC3)=O)N1c1c2cc(C(F)(F)F)cc1

InChI

InChI=1S/C27H30F3N5O2/c28-27(29,30)21-5-6-24-20(15-21)16-22(26(36)32-7-8-33-11-13-37-14-12-33)25-18-34(9-10-35(24)25)23-4-2-1-3-19(23)17-31/h1-6,15,22,25H,7-14,16,18H2,(H,32,36)

InChI Key

LBLAQDVZEZSNJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853337

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.045

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.55

Polar Surface Area

58.705

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

V001-9319 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V001-9319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-9319?
Check Price and Availability of V001-9319, 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 V001-9319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-9319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-9319
  • 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 V001-9319 available by request