D718-1267 Screening compound: 7-(4-methoxybenzyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

D718-1267 Screening compound: 7-(4-methoxybenzyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
D718-1267 Screening compound: 7-(4-methoxybenzyl)-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 D718-1267
7-(4-methoxybenzyl)-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

D718-1267

Molecular Formula

C17H12F3N5O2 (C17 H12 F3 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CN(C=Cc2c3cnc4nc(C(F)(F)F)nn24)C3=O)cc1

InChI

InChI=1S/C17H12F3N5O2/c1-27-11-4-2-10(3-5-11)9-24-7-6-13-12(14(24)26)8-21-16-22-15(17(18,19)20)23-25(13)16/h2-8H,9H2,1H3

InChI Key

UEWDIJSMOPCXRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09463783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.120

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.56

Polar Surface Area

58.353

Acid Dissociation Constant (pKa)

30.20

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with D718-1267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1267?
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What is the minimum amount of D718-1267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1267
  • 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 D718-1267 available by request