T815-0886 Screening compound: 7-(2H-1,3-benzodioxole-5-carbonyl)-3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

T815-0886 Screening compound: 7-(2H-1,3-benzodioxole-5-carbonyl)-3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
T815-0886 Screening compound: 7-(2H-1,3-benzodioxole-5-carbonyl)-3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T815-0886
7-(2H-1,3-benzodioxole-5-carbonyl)-3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

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

T815-0886

Molecular Formula

C16H18N4O3 (C16 H18 N4 O3)

Compound Name

7-(2H-1,3-benzodioxole-5-carbonyl)-3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

IUPAC name

7-(2H-13-benzodioxole-5-carbonyl)-3-(propan-2-yl)-5H6H7H8H-[124]triazolo[43-a]pyrazine

SMILES

CC(C)c1nnc(C2)n1CCN2C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C16H18N4O3/c1-10(2)15-18-17-14-8-19(5-6-20(14)15)16(21)11-3-4-12-13(7-11)23-9-22-12/h3-4,7,10H,5-6,8-9H2,1-2H3

InChI Key

JUSWDZBDHJSFQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.193

Distribution Coefficient, logD

1.193

Water Solubility, LogSw

-2.12

Polar Surface Area

58.708

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

T815-0886 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

TLR-8 ligands Library (674 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Female
  • Skin
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Others
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T815-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T815-0886?
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What is the minimum amount of T815-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T815-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T815-0886
  • 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 T815-0886 available by request