D718-1016 Screening compound: 7-(4-fluorophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

D718-1016 Screening compound: 7-(4-fluorophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
D718-1016 Screening compound: 7-(4-fluorophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1016
7-(4-fluorophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-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

D718-1016

Molecular Formula

C15H10FN5OS (C15 H10 FN5 OS)

Compound Name

7-(4-fluorophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

IUPAC name

11-(4-fluorophenyl)-4-(methylsulfanyl)-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

CSc(nc1nc2)nn1c(C=CN1c(cc3)ccc3F)c2C1=O

InChI

InChI=1S/C15H10FN5OS/c1-23-15-18-14-17-8-11-12(21(14)19-15)6-7-20(13(11)22)10-4-2-9(16)3-5-10/h2-8H,1H3

InChI Key

RLFSIVCPLIBAOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13372327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.121

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-2.61

Polar Surface Area

49.085

Acid Dissociation Constant (pKa)

26.23

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with D718-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1016?
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What is the minimum amount of D718-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1016
  • 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 D718-1016 available by request