F417-0552 Screening compound: 5-[2-OXO-2-(1,2,3,4-TETRAHYDROQUINOLIN-1-YL)ETHYL]-1-(PROPAN-2-YL)-4H,5H-[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4-ONE

F417-0552 Screening compound: 5-[2-OXO-2-(1,2,3,4-TETRAHYDROQUINOLIN-1-YL)ETHYL]-1-(PROPAN-2-YL)-4H,5H-[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4-ONE
F417-0552 Screening compound: 5-[2-OXO-2-(1,2,3,4-TETRAHYDROQUINOLIN-1-YL)ETHYL]-1-(PROPAN-2-YL)-4H,5H-[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound F417-0552
5-[2-OXO-2-(1,2,3,4-TETRAHYDROQUINOLIN-1-YL)ETHYL]-1-(PROPAN-2-YL)-4H,5H-[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4-ONE

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

F417-0552

Molecular Formula

C23H23N5O2 (C23 H23 N5 O2)

Compound Name

5-[2-OXO-2-(1,2,3,4-TETRAHYDROQUINOLIN-1-YL)ETHYL]-1-(PROPAN-2-YL)-4H,5H-[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4-ONE

IUPAC name

n/a

SMILES

CC(C)c1nnc2n1-c(cccc1)c1N(CC(N(CCC1)c3c1cccc3)=O)C2=O

InChI

InChI=1S/C23H23N5O2/c1-15(2)21-24-25-22-23(30)27(18-11-5-6-12-19(18)28(21)22)14-20(29)26-13-7-9-16-8-3-4-10-17(16)26/h3-6,8,10-12,15H,7,9,13-14H2,1-2H3

InChI Key

SASSXBHZWVINCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27126203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-2.98

Polar Surface Area

54.429

Acid Dissociation Constant (pKa)

20.17

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F417-0552 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F417-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F417-0552?
Check Price and Availability of F417-0552, 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 F417-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F417-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F417-0552
  • 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 F417-0552 available by request