V003-6802 Screening compound: 3-phenyl-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V003-6802 Screening compound: 3-phenyl-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V003-6802 Screening compound: 3-phenyl-N-[2-(pyridin-2-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 V003-6802
3-phenyl-N-[2-(pyridin-2-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

V003-6802

Molecular Formula

C27H27F3N4O (C27 H27 F3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C1)C(CN(CC2)c3ccccc3)N2c2c1cc(C(F)(F)F)cc2)NCCc1ncccc1

InChI

InChI=1S/C27H27F3N4O/c28-27(29,30)20-9-10-24-19(16-20)17-23(26(35)32-13-11-21-6-4-5-12-31-21)25-18-33(14-15-34(24)25)22-7-2-1-3-8-22/h1-10,12,16,23,25H,11,13-15,17-18H2,(H,32,35)

InChI Key

PVAVPUSIQBEHEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848115

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-4.33

Polar Surface Area

39.601

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V003-6802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6802?
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What is the minimum amount of V003-6802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6802
  • 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 V003-6802 available by request