8020-0195 Screening compound: 3-(2,3-difluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8020-0195 Screening compound: 3-(2,3-difluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8020-0195 Screening compound: 3-(2,3-difluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0195
3-(2,3-difluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[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

8020-0195

Molecular Formula

C15H8F2N4S2 (C15 H8 F2 N4 S2)

Compound Name

3-(2,3-difluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(23-difluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

Fc1cccc(-c2nnc3sc(/C=C/c4cccs4)nn23)c1F

InChI

InChI=1S/C15H8F2N4S2/c16-11-5-1-4-10(13(11)17)14-18-19-15-21(14)20-12(23-15)7-6-9-3-2-8-22-9/h1-8H

InChI Key

BNCHITMPNPWBBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-3.91

Polar Surface Area

35.235

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-0195 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8020-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0195?
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What is the minimum amount of 8020-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0195
  • 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 8020-0195 available by request