D718-1144 Screening compound: 2-(benzylsulfanyl)-6-(4-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

D718-1144 Screening compound: 2-(benzylsulfanyl)-6-(4-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D718-1144 Screening compound: 2-(benzylsulfanyl)-6-(4-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1144
2-(benzylsulfanyl)-6-(4-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

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

D718-1144

Molecular Formula

C19H16FN5S (C19 H16 FN5 S)

Compound Name

2-(benzylsulfanyl)-6-(4-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

2-(benzylsulfanyl)-6-(4-fluorophenyl)-5-methyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

Cc1nc2nc(SCc3ccccc3)nn2c(N)c1-c(cc1)ccc1F

InChI

InChI=1S/C19H16FN5S/c1-12-16(14-7-9-15(20)10-8-14)17(21)25-18(22-12)23-19(24-25)26-11-13-5-3-2-4-6-13/h2-10H,11,21H2,1H3

InChI Key

JTOWIQYKBIJWTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09766736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.595

Distribution Coefficient, logD

3.476

Water Solubility, LogSw

-3.91

Polar Surface Area

48.806

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D718-1144 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D718-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1144?
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What is the minimum amount of D718-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1144
  • 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 D718-1144 available by request