8011-6067 Screening compound: 5-methyl-2-(methylsulfanyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

8011-6067 Screening compound: 5-methyl-2-(methylsulfanyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
8011-6067 Screening compound: 5-methyl-2-(methylsulfanyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6067
5-methyl-2-(methylsulfanyl)-7-phenyl-4H,7H-[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

8011-6067

Molecular Formula

C13H14N4S (C13 H14 N4 S)

Compound Name

5-methyl-2-(methylsulfanyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

5-methyl-2-(methylsulfanyl)-7-phenyl-4H7H-[124]triazolo[15-a]pyrimidine

SMILES

CC(Nc1n2)=CC(c3ccccc3)n1nc2SC

InChI

InChI=1S/C13H14N4S/c1-9-8-11(10-6-4-3-5-7-10)17-12(14-9)15-13(16-17)18-2/h3-8,11H,1-2H3,(H,14,15,16)/t11-/m0/s1

InChI Key

NPPIUZFIUJMQHB-NSHDSACASA-N

MDL Number (MFCD)

MFCD02170775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-3.16

Polar Surface Area

36.151

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

8011-6067 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-6067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6067?
Check Price and Availability of 8011-6067, 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 8011-6067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6067
  • 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 8011-6067 available by request