G786-2005 Screening compound: 2-({3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

G786-2005 Screening compound: 2-({3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
G786-2005 Screening compound: 2-({3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-2005
2-({3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

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

G786-2005

Molecular Formula

C13H14N6O2S3 (C13 H14 N6 O2 S3)

Compound Name

2-({3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-({3-tert-butyl-4-oxo-4H-[134]thiadiazolo[23-c][124]triazin-7-yl}sulfanyl)-N-(13-thiazol-2-yl)acetamide

SMILES

CC(C)(C)C1=NN=C2SC(SCC(Nc3nccs3)=O)=NN2C1=O

InChI

InChI=1S/C13H14N6O2S3/c1-13(2,3)8-9(21)19-11(17-16-8)24-12(18-19)23-6-7(20)15-10-14-4-5-22-10/h4-5H,6H2,1-3H3,(H,14,15,20)

InChI Key

BYIQYFCBNUBRAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07192785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.084

Water Solubility, LogSw

-3.13

Polar Surface Area

82.144

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

G786-2005 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 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 G786-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-2005?
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What is the minimum amount of G786-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-2005
  • 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 G786-2005 available by request