V002-0282 Screening compound: 8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V002-0282 Screening compound: 8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V002-0282 Screening compound: 8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0282
8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-3-yl)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

V002-0282

Molecular Formula

C25H30N6O4 (C25 H30 N6 O4)

Compound Name

8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[(pyridin-3-yl)methyl]-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

[O-][N+](c(cc1)cc(C2)c1N(CCN(CC(N1CCCC1)=O)C1)C1C2C(NCc1cnccc1)=O)=O

InChI

InChI=1S/C25H30N6O4/c32-24(29-8-1-2-9-29)17-28-10-11-30-22-6-5-20(31(34)35)12-19(22)13-21(23(30)16-28)25(33)27-15-18-4-3-7-26-14-18/h3-7,12,14,21,23H,1-2,8-11,13,15-17H2,(H,27,33)

InChI Key

VQLJUOBFWWIVEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19847698

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.870

Distribution Coefficient, logD

0.311

Water Solubility, LogSw

-1.96

Polar Surface Area

90.155

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

V002-0282 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 V002-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0282?
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What is the minimum amount of V002-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0282
  • 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 V002-0282 available by request