8019-8352 Screening compound: 5,7-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

8019-8352 Screening compound: 5,7-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
8019-8352 Screening compound: 5,7-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8352
5,7-dimethyl-2-({[3-(trifluoromethyl)phenyl]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

8019-8352

Molecular Formula

C15H13F3N4S (C15 H13 F3 N4 S)

Compound Name

5,7-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

57-dimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[124]triazolo[15-a]pyrimidine

SMILES

Cc1cc(C)nc2nc(SCc3cc(C(F)(F)F)ccc3)nn12

InChI

InChI=1S/C15H13F3N4S/c1-9-6-10(2)22-13(19-9)20-14(21-22)23-8-11-4-3-5-12(7-11)15(16,17)18/h3-7H,8H2,1-2H3

InChI Key

RKECHQGYOAZJIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06353591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.390

Distribution Coefficient, logD

3.390

Water Solubility, LogSw

-3.61

Polar Surface Area

29.280

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8019-8352 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8352?
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What is the minimum amount of 8019-8352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8352
  • 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 8019-8352 available by request