8019-5341 Screening compound: 7-(tetrahydro-2-furanylmethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

8019-5341 Screening compound: 7-(tetrahydro-2-furanylmethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
8019-5341 Screening compound: 7-(tetrahydro-2-furanylmethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5341
7-(tetrahydro-2-furanylmethyl)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

8019-5341

Molecular Formula

C13H13N5O2 (C13 H13 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(CC2OCCC2)C=Cc2c1cnc1ncnn12

InChI

InChI=1S/C13H13N5O2/c19-12-10-6-14-13-15-8-16-18(13)11(10)3-4-17(12)7-9-2-1-5-20-9/h3-4,6,8-9H,1-2,5,7H2/t9-/m1/s1

InChI Key

WUHHYVWKNBFWCM-SECBINFHSA-N

MDL Number (MFCD)

MFCD09430958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.242

Distribution Coefficient, logD

-0.242

Water Solubility, LogSw

-0.76

Polar Surface Area

60.404

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8019-5341 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8019-5341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5341?
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What is the minimum amount of 8019-5341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5341
  • 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 8019-5341 available by request