8003-0194 Screening compound: 1-methyl-4-[5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

8003-0194 Screening compound: 1-methyl-4-[5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine
8003-0194 Screening compound: 1-methyl-4-[5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0194
1-methyl-4-[5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

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

8003-0194

Molecular Formula

C16H15F3N6OS (C16 H15 F3 N6 OS)

Compound Name

1-methyl-4-[5-(thiophen-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

IUPAC name

1-methyl-4-[5-(thiophen-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carbonyl]piperazine

SMILES

CN(CC1)CCN1C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2n1)=O

InChI

InChI=1S/C16H15F3N6OS/c1-23-4-6-24(7-5-23)14(26)13-21-15-20-10(11-3-2-8-27-11)9-12(16(17,18)19)25(15)22-13/h2-3,8-9H,4-7H2,1H3

InChI Key

VCLDRNDMQRISDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00295812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

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

2.135

Distribution Coefficient, logD

2.002

Water Solubility, LogSw

-2.72

Polar Surface Area

50.924

Acid Dissociation Constant (pKa)

28.86

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8003-0194 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8003-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0194?
Check Price and Availability of 8003-0194, 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 8003-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0194
  • 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 8003-0194 available by request