4065-0408 Screening compound: 3-(benzylsulfanyl)-6-methyl-1,2,4-triazin-5-ol

4065-0408 Screening compound: 3-(benzylsulfanyl)-6-methyl-1,2,4-triazin-5-ol
4065-0408 Screening compound: 3-(benzylsulfanyl)-6-methyl-1,2,4-triazin-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0408
3-(benzylsulfanyl)-6-methyl-1,2,4-triazin-5-ol

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

4065-0408

Molecular Formula

C11H11N3OS (C11 H11 N3 OS)

Compound Name

3-(benzylsulfanyl)-6-methyl-1,2,4-triazin-5-ol

IUPAC name

n/a

SMILES

Cc(c(O)n1)nnc1SCc1ccccc1

InChI

InChI=1S/C11H11N3OS/c1-8-10(15)12-11(14-13-8)16-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14,15)

InChI Key

IAVWZUPKJCZVRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00449343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.392

Distribution Coefficient, logD

0.748

Water Solubility, LogSw

-1.21

Polar Surface Area

47.925

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

4065-0408 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 4065-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0408?
Check Price and Availability of 4065-0408, 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 4065-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0408
  • 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 4065-0408 available by request