G786-1986 Screening compound: 3-tert-butyl-7-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

G786-1986 Screening compound: 3-tert-butyl-7-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
G786-1986 Screening compound: 3-tert-butyl-7-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1986
3-tert-butyl-7-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

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

G786-1986

Molecular Formula

C14H14N4O2S3 (C14 H14 N4 O2 S3)

Compound Name

3-tert-butyl-7-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

3-tert-butyl-7-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4H-[134]thiadiazolo[23-c][124]triazin-4-one

SMILES

CC(C)(C)C1=NN=C2SC(SCC(c3cccs3)=O)=NN2C1=O

InChI

InChI=1S/C14H14N4O2S3/c1-14(2,3)10-11(20)18-12(16-15-10)23-13(17-18)22-7-8(19)9-5-4-6-21-9/h4-6H,7H2,1-3H3

InChI Key

CSYMLDTVWKJDHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06335507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.049

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-4.06

Polar Surface Area

62.781

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

G786-1986 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G786-1986 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1986
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1986
  • 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 G786-1986 available by request