G844-0316 Screening compound: 2-(ethylsulfanyl)-N-{5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}benzamide

G844-0316 Screening compound: 2-(ethylsulfanyl)-N-{5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}benzamide
G844-0316 Screening compound: 2-(ethylsulfanyl)-N-{5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G844-0316
2-(ethylsulfanyl)-N-{5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}benzamide

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

G844-0316

Molecular Formula

C13H14N4OS2 (C13 H14 N4 OS2)

Compound Name

2-(ethylsulfanyl)-N-{5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}benzamide

IUPAC name

2-(ethylsulfanyl)-N-{5H6H-[124]triazolo[34-b][13]thiazol-3-yl}benzamide

SMILES

CCSc(cccc1)c1C(Nc1nnc2SCCn12)=O

InChI

InChI=1S/C13H14N4OS2/c1-2-19-10-6-4-3-5-9(10)11(18)14-12-15-16-13-17(12)7-8-20-13/h3-6H,2,7-8H2,1H3,(H,14,15,18)

InChI Key

GHZOGVFYDJYGFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.200

Water Solubility, LogSw

-3.02

Polar Surface Area

49.461

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G844-0316 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G844-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G844-0316?
Check Price and Availability of G844-0316, 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 G844-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G844-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G844-0316
  • 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 G844-0316 available by request