G844-0281 Screening compound: N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-3-phenylpropanamide

G844-0281 Screening compound: N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-3-phenylpropanamide
G844-0281 Screening compound: N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G844-0281
N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-3-phenylpropanamide

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

G844-0281

Molecular Formula

C13H14N4OS (C13 H14 N4 OS)

Compound Name

N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-3-phenylpropanamide

IUPAC name

n/a

SMILES

O=C(CCc1ccccc1)Nc1nnc2SCCn12

InChI

InChI=1S/C13H14N4OS/c18-11(7-6-10-4-2-1-3-5-10)14-12-15-16-13-17(12)8-9-19-13/h1-5H,6-9H2,(H,14,15,18)

InChI Key

ONCJSFSSELVSLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322625

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

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.732

Distribution Coefficient, logD

1.732

Water Solubility, LogSw

-2.24

Polar Surface Area

49.247

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

G844-0281 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G844-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G844-0281?
Check Price and Availability of G844-0281, 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 G844-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G844-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G844-0281
  • 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 G844-0281 available by request