T815-0531 Screening compound: 2-(3-chloro-4-methoxyphenyl)-1-{3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}ethan-1-one

T815-0531 Screening compound: 2-(3-chloro-4-methoxyphenyl)-1-{3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}ethan-1-one
T815-0531 Screening compound: 2-(3-chloro-4-methoxyphenyl)-1-{3-methyl-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 T815-0531
2-(3-chloro-4-methoxyphenyl)-1-{3-methyl-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

T815-0531

Molecular Formula

C15H17ClN4O2 (C15 H17 ClN4 O2)

Compound Name

2-(3-chloro-4-methoxyphenyl)-1-{3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}ethan-1-one

IUPAC name

2-(3-chloro-4-methoxyphenyl)-1-{3-methyl-5H6H7H8H-[124]triazolo[43-a]pyrazin-7-yl}ethan-1-one

SMILES

Cc1nnc(C2)n1CCN2C(Cc(cc1)cc(Cl)c1OC)=O

InChI

InChI=1S/C15H17ClN4O2/c1-10-17-18-14-9-19(5-6-20(10)14)15(21)8-11-3-4-13(22-2)12(16)7-11/h3-4,7H,5-6,8-9H2,1-2H3

InChI Key

AWEAPUGXTSWTIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.925

Distribution Coefficient, logD

0.924

Water Solubility, LogSw

-2.57

Polar Surface Area

49.473

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

T815-0531 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Female
  • Skin
  • Immune system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
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 T815-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T815-0531?
Check Price and Availability of T815-0531, 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 T815-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T815-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T815-0531
  • 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 T815-0531 available by request