8228-2813 Screening compound: 3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1H-indole

8228-2813 Screening compound: 3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1H-indole
8228-2813 Screening compound: 3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8228-2813
3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1H-indole

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

8228-2813

Molecular Formula

C17H15N7S (C17 H15 N7 S)

Compound Name

3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1H-indole

IUPAC name

3-[3-(35-dimethyl-1H-pyrazol-1-yl)-7H-[124]triazolo[34-b][134]thiadiazin-6-yl]-1H-indole

SMILES

Cc1cc(C)nn1-c1nnc2SCC(c3c[nH]c4c3cccc4)=Nn12

InChI

InChI=1S/C17H15N7S/c1-10-7-11(2)23(21-10)16-19-20-17-24(16)22-15(9-25-17)13-8-18-14-6-4-3-5-12(13)14/h3-8,18H,9H2,1-2H3

InChI Key

CQWIVLGOZCPJOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06628532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.06

Polar Surface Area

57.513

Acid Dissociation Constant (pKa)

18.05

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8228-2813 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8228-2813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8228-2813?
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What is the minimum amount of 8228-2813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8228-2813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8228-2813
  • 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 8228-2813 available by request