G751-0005 Screening compound: 2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,4-dihydroquinolin-4-one

G751-0005 Screening compound: 2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,4-dihydroquinolin-4-one
G751-0005 Screening compound: 2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-0005
2-({[5-(4-methylphenyl)-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

G751-0005

Molecular Formula

C19H16N4OS (C19 H16 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c([nH]1)nnc1SCC(Nc1c2cccc1)=CC2=O

InChI

InChI=1S/C19H16N4OS/c1-12-6-8-13(9-7-12)18-21-19(23-22-18)25-11-14-10-17(24)15-4-2-3-5-16(15)20-14/h2-10H,11H2,1H3,(H,20,24)(H,21,22,23)

InChI Key

HKAIGEGDQBPVBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

2.451

Water Solubility, LogSw

-3.89

Polar Surface Area

57.268

Acid Dissociation Constant (pKa)

5.32

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G751-0005 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G751-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-0005?
Check Price and Availability of G751-0005, 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 G751-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-0005
  • 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 G751-0005 available by request