8018-7789 Screening compound: 5,7-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine

8018-7789 Screening compound: 5,7-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine
8018-7789 Screening compound: 5,7-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7789
5,7-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[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

8018-7789

Molecular Formula

C15H16N4S (C15 H16 N4 S)

Compound Name

5,7-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

57-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[124]triazolo[15-a]pyrimidine

SMILES

Cc1c(CSc2nn3c(C)cc(C)nc3n2)cccc1

InChI

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

InChI Key

PLFRYCGVTVNFNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030336

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

3.433

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-3.45

Polar Surface Area

29.280

Acid Dissociation Constant (pKa)

21.16

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8018-7789 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-7789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7789?
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What is the minimum amount of 8018-7789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7789
  • 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 8018-7789 available by request