8561-08412 Screening compound: 5-methyl-6-[(3-methylphenyl)methyl]-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

8561-08412 Screening compound: 5-methyl-6-[(3-methylphenyl)methyl]-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
8561-08412 Screening compound: 5-methyl-6-[(3-methylphenyl)methyl]-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8561-08412
5-methyl-6-[(3-methylphenyl)methyl]-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

8561-08412

Molecular Formula

C15H13F3N4O (C15 H13 F3 N4 O)

Compound Name

5-methyl-6-[(3-methylphenyl)methyl]-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-methyl-6-[(3-methylphenyl)methyl]-2-(trifluoromethyl)-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

Cc1cccc(CC2=C(C)Nc3nc(C(F)(F)F)nn3C2=O)c1

InChI

InChI=1S/C15H13F3N4O/c1-8-4-3-5-10(6-8)7-11-9(2)19-14-20-13(15(16,17)18)21-22(14)12(11)23/h3-6H,7H2,1-2H3,(H,19,20,21)

InChI Key

GZTDLFCHXWMEBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07403343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

0.138

Water Solubility, LogSw

-3.70

Polar Surface Area

50.252

Acid Dissociation Constant (pKa)

3.99

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8561-08412 in Drug Discovery

Included in Screening Libraries

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 8561-08412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8561-08412?
Check Price and Availability of 8561-08412, 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 8561-08412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8561-08412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8561-08412
  • 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 8561-08412 available by request