T815-0979 Screening compound: 2-(3-chlorophenoxy)-1-[3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethan-1-one

T815-0979 Screening compound: 2-(3-chlorophenoxy)-1-[3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethan-1-one
T815-0979 Screening compound: 2-(3-chlorophenoxy)-1-[3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T815-0979
2-(3-chlorophenoxy)-1-[3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethan-1-one

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

T815-0979

Molecular Formula

C16H19ClN4O2 (C16 H19 ClN4 O2)

Compound Name

2-(3-chlorophenoxy)-1-[3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethan-1-one

IUPAC name

2-(3-chlorophenoxy)-1-[3-(propan-2-yl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-7-yl]ethan-1-one

SMILES

CC(C)c1nnc(C2)n1CCN2C(COc1cccc(Cl)c1)=O

InChI

InChI=1S/C16H19ClN4O2/c1-11(2)16-19-18-14-9-20(6-7-21(14)16)15(22)10-23-13-5-3-4-12(17)8-13/h3-5,8,11H,6-7,9-10H2,1-2H3

InChI Key

UWYLPROZOZNUOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.020

Distribution Coefficient, logD

2.019

Water Solubility, LogSw

-2.64

Polar Surface Area

48.564

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

T815-0979 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

TLR-8 ligands Library (674 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Female
  • Skin
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Others
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T815-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T815-0979?
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What is the minimum amount of T815-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T815-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T815-0979
  • 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 T815-0979 available by request