G844-0442 Screening compound: 4-phenyl-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}butanamide

G844-0442 Screening compound: 4-phenyl-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}butanamide
G844-0442 Screening compound: 4-phenyl-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G844-0442
4-phenyl-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}butanamide

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

G844-0442

Molecular Formula

C15H18N4OS (C15 H18 N4 OS)

Compound Name

4-phenyl-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}butanamide

IUPAC name

4-phenyl-N-{5H6H7H-[124]triazolo[34-b][13]thiazin-3-yl}butanamide

SMILES

O=C(CCCc1ccccc1)Nc1nnc2SCCCn12

InChI

InChI=1S/C15H18N4OS/c20-13(9-4-8-12-6-2-1-3-7-12)16-14-17-18-15-19(14)10-5-11-21-15/h1-3,6-7H,4-5,8-11H2,(H,16,17,20)

InChI Key

PHZRLCWDTAYMST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.4

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

2.612

Distribution Coefficient, logD

2.610

Water Solubility, LogSw

-3.12

Polar Surface Area

48.881

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G844-0442 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 G844-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G844-0442?
Check Price and Availability of G844-0442, 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 G844-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G844-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G844-0442
  • 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 G844-0442 available by request