D718-1265 Screening compound: 7-phenethyl-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

D718-1265 Screening compound: 7-phenethyl-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
D718-1265 Screening compound: 7-phenethyl-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1265
7-phenethyl-2-(trifluoromethyl)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

D718-1265

Molecular Formula

C17H12F3N5O (C17 H12 F3 N5 O)

Compound Name

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

IUPAC name

11-(2-phenylethyl)-4-(trifluoromethyl)-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

O=C1N(CCc2ccccc2)C=Cc2c1cnc1nc(C(F)(F)F)nn12

InChI

InChI=1S/C17H12F3N5O/c18-17(19,20)15-22-16-21-10-12-13(25(16)23-15)7-9-24(14(12)26)8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2

InChI Key

ZMXKGBYXVLAWEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09463778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-2.76

Polar Surface Area

50.787

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with D718-1265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1265?
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What is the minimum amount of D718-1265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1265
  • 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 D718-1265 available by request