G844-0353 Screening compound: N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methylbenzamide

G844-0353 Screening compound: N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methylbenzamide
G844-0353 Screening compound: N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G844-0353
N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methylbenzamide

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

G844-0353

Molecular Formula

C13H14N4OS (C13 H14 N4 OS)

Compound Name

N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methylbenzamide

IUPAC name

3-methyl-N-{5H6H7H-[124]triazolo[34-b][13]thiazin-3-yl}benzamide

SMILES

Cc1cccc(C(Nc2nnc3SCCCn23)=O)c1

InChI

InChI=1S/C13H14N4OS/c1-9-4-2-5-10(8-9)11(18)14-12-15-16-13-17(12)6-3-7-19-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15,18)

InChI Key

WOGAHMHYOQAKCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-2.84

Polar Surface Area

49.095

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

G844-0353 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G844-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G844-0353?
Check Price and Availability of G844-0353, 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 G844-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G844-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G844-0353
  • 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 G844-0353 available by request