F671-0087 Screening compound: 3-methyl-1-(4-{[4-(2-pyridyl)piperazino]carbonyl}benzyl)-2(1H)-quinoxalinone

F671-0087 Screening compound: 3-methyl-1-(4-{[4-(2-pyridyl)piperazino]carbonyl}benzyl)-2(1H)-quinoxalinone
F671-0087 Screening compound: 3-methyl-1-(4-{[4-(2-pyridyl)piperazino]carbonyl}benzyl)-2(1H)-quinoxalinone alternative view

Chemical Structure Depiction of ChemDiv screening compound F671-0087
3-methyl-1-(4-{[4-(2-pyridyl)piperazino]carbonyl}benzyl)-2(1H)-quinoxalinone

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

F671-0087

Molecular Formula

C26H25N5O2 (C26 H25 N5 O2)

Compound Name

3-methyl-1-(4-{[4-(2-pyridyl)piperazino]carbonyl}benzyl)-2(1H)-quinoxalinone

IUPAC name

3-methyl-1-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-12-dihydroquinoxalin-2-one

SMILES

CC1=Nc(cccc2)c2N(Cc(cc2)ccc2C(N(CC2)CCN2c2ncccc2)=O)C1=O

InChI

InChI=1S/C26H25N5O2/c1-19-25(32)31(23-7-3-2-6-22(23)28-19)18-20-9-11-21(12-10-20)26(33)30-16-14-29(15-17-30)24-8-4-5-13-27-24/h2-13H,14-18H2,1H3

InChI Key

HTEUNLNJMHTPAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.28

Polar Surface Area

51.043

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

F671-0087 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F671-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F671-0087?
Check Price and Availability of F671-0087, 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 F671-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F671-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F671-0087
  • 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 F671-0087 available by request