Y020-2046 Screening compound: 1-(7-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one

Y020-2046 Screening compound: 1-(7-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
Y020-2046 Screening compound: 1-(7-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2046
1-(7-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one

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

Y020-2046

Molecular Formula

C16H16N4OS (C16 H16 N4 OS)

Compound Name

1-(7-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one

IUPAC name

1-(7-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-[124]triazolo[15-a]pyrimidin-6-yl)ethan-1-one

SMILES

CC(c(cnc1n2)c(C)n1nc2SCc1c(C)cccc1)=O

InChI

InChI=1S/C16H16N4OS/c1-10-6-4-5-7-13(10)9-22-16-18-15-17-8-14(12(3)21)11(2)20(15)19-16/h4-8H,9H2,1-3H3

InChI Key

DETGMYCLNDRFAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07469692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.005

Distribution Coefficient, logD

3.005

Water Solubility, LogSw

-3.06

Polar Surface Area

43.598

Acid Dissociation Constant (pKa)

20.76

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y020-2046 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-2046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2046?
Check Price and Availability of Y020-2046, 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 Y020-2046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2046
  • 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 Y020-2046 available by request