V008-4611 Screening compound: N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V008-4611 Screening compound: N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V008-4611 Screening compound: N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)-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 V008-4611
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)-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

V008-4611

Molecular Formula

C29H32N4O4 (C29 H32 N4 O4)

Compound Name

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

IUPAC name

N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)-8-nitro-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

Cc(cc1)ccc1N(CC1)CC(C(C2)C(NCCc(cccc3)c3OC)=O)N1c(cc1)c2cc1[N+]([O-])=O

InChI

InChI=1S/C29H32N4O4/c1-20-7-9-23(10-8-20)31-15-16-32-26-12-11-24(33(35)36)17-22(26)18-25(27(32)19-31)29(34)30-14-13-21-5-3-4-6-28(21)37-2/h3-12,17,25,27H,13-16,18-19H2,1-2H3,(H,30,34)

InChI Key

CNPVJUINVDQXKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848016

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

5.114

Water Solubility, LogSw

-4.85

Polar Surface Area

71.070

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

V008-4611 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V008-4611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4611?
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What is the minimum amount of V008-4611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4611
  • 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 V008-4611 available by request