D718-1269 Screening compound: 7-(2-furylmethyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

D718-1269 Screening compound: 7-(2-furylmethyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
D718-1269 Screening compound: 7-(2-furylmethyl)-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 D718-1269
7-(2-furylmethyl)-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

D718-1269

Molecular Formula

C14H8F3N5O2 (C14 H8 F3 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc2ccco2)C=Cc2c1cnc1nc(C(F)(F)F)nn12

InChI

InChI=1S/C14H8F3N5O2/c15-14(16,17)12-19-13-18-6-9-10(22(13)20-12)3-4-21(11(9)23)7-8-2-1-5-24-8/h1-6H,7H2

InChI Key

YGSQSOOZUCYNQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09463786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.706

Distribution Coefficient, logD

1.706

Water Solubility, LogSw

-2.04

Polar Surface Area

58.557

Acid Dissociation Constant (pKa)

34.63

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D718-1269 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D718-1269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1269?
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What is the minimum amount of D718-1269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1269
  • 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 D718-1269 available by request