V008-8664 Screening compound: 3-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V008-8664 Screening compound: 3-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V008-8664 Screening compound: 3-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-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 V008-8664
3-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-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

V008-8664

Molecular Formula

C25H31FN4O3 (C25 H31 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H31FN4O3/c1-17(2)9-10-27-25(31)22-14-19-13-21(30(32)33)7-8-23(19)29-12-11-28(16-24(22)29)15-18-3-5-20(26)6-4-18/h3-8,13,17,22,24H,9-12,14-16H2,1-2H3,(H,27,31)

InChI Key

BKYBYWAMZMEHIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853152

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

3.453

Water Solubility, LogSw

-4.00

Polar Surface Area

63.991

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

V008-8664 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 V008-8664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8664?
Check Price and Availability of V008-8664, 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 V008-8664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8664
  • 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 V008-8664 available by request