8009-4553 Screening compound: 2-(benzylsulfanyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

8009-4553 Screening compound: 2-(benzylsulfanyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
8009-4553 Screening compound: 2-(benzylsulfanyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4553
2-(benzylsulfanyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

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

8009-4553

Molecular Formula

C15H16N4S (C15 H16 N4 S)

Compound Name

2-(benzylsulfanyl)-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

2-(benzylsulfanyl)-567-trimethyl-[124]triazolo[15-a]pyrimidine

SMILES

Cc(c(C)nc1n2)c(C)n1nc2SCc1ccccc1

InChI

InChI=1S/C15H16N4S/c1-10-11(2)16-14-17-15(18-19(14)12(10)3)20-9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3

InChI Key

ADRZHDXRRHEBNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.877

Distribution Coefficient, logD

2.877

Water Solubility, LogSw

-2.89

Polar Surface Area

29.826

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8009-4553 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with 8009-4553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4553?
Check Price and Availability of 8009-4553, 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 8009-4553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4553
  • 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 8009-4553 available by request