V008-8663 Screening compound: 3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V008-8663 Screening compound: 3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V008-8663 Screening compound: 3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8663
3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-8-nitro-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

V008-8663

Molecular Formula

C23H27FN4O4 (C23 H27 FN4 O4)

Compound Name

3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-8-nitro-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

COCCNC(C(C1)C(CN(Cc(cc2)ccc2F)CC2)N2c(cc2)c1cc2[N+]([O-])=O)=O

InChI

InChI=1S/C23H27FN4O4/c1-32-11-8-25-23(29)20-13-17-12-19(28(30)31)6-7-21(17)27-10-9-26(15-22(20)27)14-16-2-4-18(24)5-3-16/h2-7,12,20,22H,8-11,13-15H2,1H3,(H,25,29)

InChI Key

OCHLMQVOJZBYNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19847794

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-2.86

Polar Surface Area

72.334

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

V008-8663 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 V008-8663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8663?
Check Price and Availability of V008-8663, 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 V008-8663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8663
  • 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 V008-8663 available by request