V008-4620 Screening compound: 8-nitro-N-(2-phenylethyl)-3-(pyridin-2-yl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V008-4620 Screening compound: 8-nitro-N-(2-phenylethyl)-3-(pyridin-2-yl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V008-4620 Screening compound: 8-nitro-N-(2-phenylethyl)-3-(pyridin-2-yl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4620
8-nitro-N-(2-phenylethyl)-3-(pyridin-2-yl)-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

V008-4620

Molecular Formula

C26H27N5O3 (C26 H27 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(C2)c1N(CCN(C1)c3ncccc3)C1C2C(NCCc1ccccc1)=O)=O

InChI

InChI=1S/C26H27N5O3/c32-26(28-13-11-19-6-2-1-3-7-19)22-17-20-16-21(31(33)34)9-10-23(20)30-15-14-29(18-24(22)30)25-8-4-5-12-27-25/h1-10,12,16,22,24H,11,13-15,17-18H2,(H,28,32)

InChI Key

XMSGBVUVTLDJNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978733

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.08

Polar Surface Area

71.951

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

V008-4620 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V008-4620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4620?
Check Price and Availability of V008-4620, 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 V008-4620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4620
  • 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 V008-4620 available by request