G844-0380 Screening compound: 3-bromo-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}benzamide

G844-0380 Screening compound: 3-bromo-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}benzamide
G844-0380 Screening compound: 3-bromo-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G844-0380
3-bromo-N-{5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3]thiazin-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

G844-0380

Molecular Formula

C12H11BrN4OS (C12 H11 BrN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(Br)c1)Nc1nnc2SCCCn12

InChI

InChI=1S/C12H11BrN4OS/c13-9-4-1-3-8(7-9)10(18)14-11-15-16-12-17(11)5-2-6-19-12/h1,3-4,7H,2,5-6H2,(H,14,15,18)

InChI Key

UTJXXGFIROFKCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.22

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

2.660

Distribution Coefficient, logD

2.622

Water Solubility, LogSw

-3.13

Polar Surface Area

49.095

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G844-0380 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Epitranscriptome Focused Small Molecule Library (20952 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

References: we are preparing a list of scientific research reports with G844-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G844-0380?
Check Price and Availability of G844-0380, 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 G844-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G844-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G844-0380
  • 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 G844-0380 available by request