G751-2239 Screening compound: 2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoro-1,4-dihydroquinolin-4-one

G751-2239 Screening compound: 2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoro-1,4-dihydroquinolin-4-one
G751-2239 Screening compound: 2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoro-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-2239
2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoro-1,4-dihydroquinolin-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

G751-2239

Molecular Formula

C17H19FN4OS (C17 H19 FN4 OS)

Compound Name

2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoro-1,4-dihydroquinolin-4-one

IUPAC name

2-{[(5-butyl-4-methyl-4H-124-triazol-3-yl)sulfanyl]methyl}-6-fluoro-14-dihydroquinolin-4-one

SMILES

CCCCc(n1C)nnc1SCC(Nc(cc1)c2cc1F)=CC2=O

InChI

InChI=1S/C17H19FN4OS/c1-3-4-5-16-20-21-17(22(16)2)24-10-12-9-15(23)13-8-11(18)6-7-14(13)19-12/h6-9H,3-5,10H2,1-2H3,(H,19,23)

InChI Key

KJZBGFSKWFSTAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.521

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.83

Polar Surface Area

51.093

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G751-2239 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G751-2239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-2239?
Check Price and Availability of G751-2239, 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 G751-2239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-2239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-2239
  • 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 G751-2239 available by request