M652-0647 Screening compound: 9-methyl-5-[2-(3-methylpiperidino)-2-oxoethyl]pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one

M652-0647 Screening compound: 9-methyl-5-[2-(3-methylpiperidino)-2-oxoethyl]pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one
M652-0647 Screening compound: 9-methyl-5-[2-(3-methylpiperidino)-2-oxoethyl]pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M652-0647
9-methyl-5-[2-(3-methylpiperidino)-2-oxoethyl]pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-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

M652-0647

Molecular Formula

C17H20N6O2 (C17 H20 N6 O2)

Compound Name

9-methyl-5-[2-(3-methylpiperidino)-2-oxoethyl]pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one

IUPAC name

3-methyl-8-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-245813-pentaazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-7-one

SMILES

CC(CCC1)CN1C(CN(c1c(-n2c3nnc2C)nccc1)C3=O)=O

InChI

InChI=1S/C17H20N6O2/c1-11-5-4-8-21(9-11)14(24)10-22-13-6-3-7-18-15(13)23-12(2)19-20-16(23)17(22)25/h3,6-7,11H,4-5,8-10H2,1-2H3/t11-/m0/s1

InChI Key

HWIFNXZQGZIPCC-NSHDSACASA-N

MDL Number (MFCD)

MFCD27550129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.015

Distribution Coefficient, logD

0.014

Water Solubility, LogSw

-1.25

Polar Surface Area

66.805

Acid Dissociation Constant (pKa)

21.72

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

M652-0647 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with M652-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0647?
Check Price and Availability of M652-0647, 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 M652-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0647
  • 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 M652-0647 available by request