G844-0334 Screening compound: 4-butyl-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}cyclohexane-1-carboxamide

G844-0334 Screening compound: 4-butyl-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}cyclohexane-1-carboxamide
G844-0334 Screening compound: 4-butyl-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G844-0334
4-butyl-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}cyclohexane-1-carboxamide

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

G844-0334

Molecular Formula

C16H26N4OS (C16 H26 N4 OS)

Compound Name

4-butyl-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}cyclohexane-1-carboxamide

IUPAC name

4-butyl-N-{5H6H7H-[124]triazolo[34-b][13]thiazin-3-yl}cyclohexane-1-carboxamide

SMILES

CCCCC(CC1)CCC1C(Nc1nnc2SCCCn12)=O

InChI

InChI=1S/C16H26N4OS/c1-2-3-5-12-6-8-13(9-7-12)14(21)17-15-18-19-16-20(15)10-4-11-22-16/h12-13H,2-11H2,1H3,(H,17,18,21)

InChI Key

RSTTWKXOSFVNSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14074588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.891

Water Solubility, LogSw

-3.69

Polar Surface Area

49.287

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.25

G844-0334 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 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
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G844-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G844-0334?
Check Price and Availability of G844-0334, 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 G844-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G844-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G844-0334
  • 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 G844-0334 available by request