V008-4596 Screening compound: N,3-bis[(4-fluorophenyl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V008-4596 Screening compound: N,3-bis[(4-fluorophenyl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V008-4596 Screening compound: N,3-bis[(4-fluorophenyl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4596
N,3-bis[(4-fluorophenyl)methyl]-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

V008-4596

Molecular Formula

C27H27F2N3O (C27 H27 F2 N3 O)

Compound Name

N,3-bis[(4-fluorophenyl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

N3-bis[(4-fluorophenyl)methyl]-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(Cc(cc2)ccc2F)CC2)N2c2c1cccc2)NCc(cc1)ccc1F

InChI

InChI=1S/C27H27F2N3O/c28-22-9-5-19(6-10-22)16-30-27(33)24-15-21-3-1-2-4-25(21)32-14-13-31(18-26(24)32)17-20-7-11-23(29)12-8-20/h1-12,24,26H,13-18H2,(H,30,33)

InChI Key

FUUKPPZRNLTKLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852974

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-4.07

Polar Surface Area

30.497

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

V008-4596 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V008-4596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4596?
Check Price and Availability of V008-4596, 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 V008-4596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4596
  • 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 V008-4596 available by request