G751-5952 Screening compound: 6-methoxy-2-[({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,4-dihydroquinolin-4-one

G751-5952 Screening compound: 6-methoxy-2-[({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,4-dihydroquinolin-4-one
G751-5952 Screening compound: 6-methoxy-2-[({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-5952
6-methoxy-2-[({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-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

G751-5952

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCc(n2C)nnc2SCC(Nc(cc2)c3cc2OC)=CC3=O)c1

InChI

InChI=1S/C22H22N4O3S/c1-14-5-4-6-17(9-14)29-12-21-24-25-22(26(21)2)30-13-15-10-20(27)18-11-16(28-3)7-8-19(18)23-15/h4-11H,12-13H2,1-3H3,(H,23,27)

InChI Key

HHWOMNIQNWJUET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15032030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.781

Water Solubility, LogSw

-4.00

Polar Surface Area

65.865

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G751-5952 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 G751-5952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-5952?
Check Price and Availability of G751-5952, 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 G751-5952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-5952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-5952
  • 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 G751-5952 available by request