K061-1172 Screening compound: 5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

K061-1172 Screening compound: 5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
K061-1172 Screening compound: 5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-1172
5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

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

K061-1172

Molecular Formula

C11H5F3N4O2S (C11 H5 F3 N4 O2 S)

Compound Name

5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

IUPAC name

5-(thiophen-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxylic acid

SMILES

OC(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2n1)=O

InChI

InChI=1S/C11H5F3N4O2S/c12-11(13,14)7-4-5(6-2-1-3-21-6)15-10-16-8(9(19)20)17-18(7)10/h1-4H,(H,19,20)

InChI Key

VIENUVCQPMWYIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.177

Distribution Coefficient, logD

-4.364

Water Solubility, LogSw

-2.40

Polar Surface Area

59.208

Acid Dissociation Constant (pKa)

0.86

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K061-1172 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K061-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-1172?
Check Price and Availability of K061-1172, 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 K061-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-1172
  • 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 K061-1172 available by request