M652-0564 Screening compound: 2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]-N~1~-[2-(trifluoromethyl)benzyl]acetamide

M652-0564 Screening compound: 2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]-N~1~-[2-(trifluoromethyl)benzyl]acetamide
M652-0564 Screening compound: 2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]-N~1~-[2-(trifluoromethyl)benzyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M652-0564
2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]-N~1~-[2-(trifluoromethyl)benzyl]acetamide

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

M652-0564

Molecular Formula

C19H15F3N6O2 (C19 H15 F3 N6 O2)

Compound Name

2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]-N~1~-[2-(trifluoromethyl)benzyl]acetamide

IUPAC name

2-{3-methyl-7-oxo-245813-pentaazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}-N-{[2-(trifluoromethyl)phenyl]methyl}acetamide

SMILES

Cc1nnc2n1-c(nccc1)c1N(CC(NCc1c(C(F)(F)F)cccc1)=O)C2=O

InChI

InChI=1S/C19H15F3N6O2/c1-11-25-26-17-18(30)27(14-7-4-8-23-16(14)28(11)17)10-15(29)24-9-12-5-2-3-6-13(12)19(20,21)22/h2-8H,9-10H2,1H3,(H,24,29)

InChI Key

UMUMIEJZQWVHIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.348

Distribution Coefficient, logD

1.347

Water Solubility, LogSw

-2.27

Polar Surface Area

74.951

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

M652-0564 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M652-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0564?
Check Price and Availability of M652-0564, 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 M652-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0564
  • 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 M652-0564 available by request