8014-9904 Screening compound: 2-methyl-3-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoxaline

8014-9904 Screening compound: 2-methyl-3-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoxaline
8014-9904 Screening compound: 2-methyl-3-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9904
2-methyl-3-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoxaline

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

8014-9904

Molecular Formula

C19H17N5S (C19 H17 N5 S)

Compound Name

2-methyl-3-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoxaline

IUPAC name

2-methyl-3-{[(4-methyl-5-phenyl-4H-124-triazol-3-yl)sulfanyl]methyl}quinoxaline

SMILES

Cc1nc2ccccc2nc1CSc1nnc(-c2ccccc2)n1C

InChI

InChI=1S/C19H17N5S/c1-13-17(21-16-11-7-6-10-15(16)20-13)12-25-19-23-22-18(24(19)2)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3

InChI Key

SACVVOSDOBZNDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.833

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-4.00

Polar Surface Area

43.826

Acid Dissociation Constant (pKa)

21.36

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8014-9904 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8014-9904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9904?
Check Price and Availability of 8014-9904, 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 8014-9904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9904
  • 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 8014-9904 available by request