D221-0199 Screening compound: 6-(1-BENZOFURAN-2-YL)-3-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

D221-0199 Screening compound: 6-(1-BENZOFURAN-2-YL)-3-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE
D221-0199 Screening compound: 6-(1-BENZOFURAN-2-YL)-3-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound D221-0199
6-(1-BENZOFURAN-2-YL)-3-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

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

D221-0199

Molecular Formula

C12H5F3N4OS (C12 H5 F3 N4 OS)

Compound Name

6-(1-BENZOFURAN-2-YL)-3-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

IUPAC name

n/a

SMILES

FC(c1nnc2sc(-c3cc(cccc4)c4o3)nn12)(F)F

InChI

InChI=1S/C12H5F3N4OS/c13-12(14,15)10-16-17-11-19(10)18-9(21-11)8-5-6-3-1-2-4-7(6)20-8/h1-5H

InChI Key

HEUAJHZYJQMBCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06608667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.488

Distribution Coefficient, logD

3.488

Water Solubility, LogSw

-3.82

Polar Surface Area

42.286

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D221-0199 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 D221-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D221-0199?
Check Price and Availability of D221-0199, 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 D221-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D221-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D221-0199
  • 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 D221-0199 available by request