1731-0844 Screening compound: tris(prop-2-yn-1-yloxy)-1,3,5-triazine

1731-0844 Screening compound: tris(prop-2-yn-1-yloxy)-1,3,5-triazine
1731-0844 Screening compound: tris(prop-2-yn-1-yloxy)-1,3,5-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-0844
tris(prop-2-yn-1-yloxy)-1,3,5-triazine

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

1731-0844

Molecular Formula

C12H9N3O3 (C12 H9 N3 O3)

Compound Name

tris(prop-2-yn-1-yloxy)-1,3,5-triazine

IUPAC name

tris(prop-2-yn-1-yloxy)-135-triazine

SMILES

C#CCOc1nc(OCC#C)nc(OCC#C)n1

InChI

InChI=1S/C12H9N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h1-3H,7-9H2

InChI Key

DRFJNVUYUQQIDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00441828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.097

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-1.96

Polar Surface Area

51.761

Acid Dissociation Constant (pKa)

20.26

Base Dissociation Constant (pKb)

-6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1731-0844 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1731-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1731-0844?
Check Price and Availability of 1731-0844, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1731-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-0844
  • 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 1731-0844 available by request