V002-4080 Screening compound: 3-benzyl-N-(3-methoxypropyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V002-4080 Screening compound: 3-benzyl-N-(3-methoxypropyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V002-4080 Screening compound: 3-benzyl-N-(3-methoxypropyl)-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 V002-4080
3-benzyl-N-(3-methoxypropyl)-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

V002-4080

Molecular Formula

C24H30N4O4 (C24 H30 N4 O4)

Compound Name

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

IUPAC name

3-benzyl-N-(3-methoxypropyl)-8-nitro-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

COCCCNC(C(C1)C(CN(Cc2ccccc2)CC2)N2c(cc2)c1cc2[N+]([O-])=O)=O

InChI

InChI=1S/C24H30N4O4/c1-32-13-5-10-25-24(29)21-15-19-14-20(28(30)31)8-9-22(19)27-12-11-26(17-23(21)27)16-18-6-3-2-4-7-18/h2-4,6-9,14,21,23H,5,10-13,15-17H2,1H3,(H,25,29)

InChI Key

ZKTKFFXRIBTPEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853047

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

1.762

Water Solubility, LogSw

-3.13

Polar Surface Area

72.334

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

V002-4080 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 V002-4080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4080?
Check Price and Availability of V002-4080, 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 V002-4080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4080
  • 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 V002-4080 available by request