8020-5257 Screening compound: 5-methyl-1-phenyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazole

8020-5257 Screening compound: 5-methyl-1-phenyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazole
8020-5257 Screening compound: 5-methyl-1-phenyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5257
5-methyl-1-phenyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazole

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

8020-5257

Molecular Formula

C14H9F3N6S (C14 H9 F3 N6 S)

Compound Name

5-methyl-1-phenyl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazole

IUPAC name

5-methyl-1-phenyl-3-[3-(trifluoromethyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-1H-pyrazole

SMILES

Cc1cc(-c(s2)nn3c2nnc3C(F)(F)F)nn1-c1ccccc1

InChI

InChI=1S/C14H9F3N6S/c1-8-7-10(20-22(8)9-5-3-2-4-6-9)11-21-23-12(14(15,16)17)18-19-13(23)24-11/h2-7H,1H3

InChI Key

PYZZDXGDEATQKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18065639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.990

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-2.96

Polar Surface Area

48.058

Acid Dissociation Constant (pKa)

26.68

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8020-5257 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-5257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5257?
Check Price and Availability of 8020-5257, 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 8020-5257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5257
  • 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 8020-5257 available by request