M652-0598 Screening compound: ethyl 1-{2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetyl}-4-piperidinecarboxylate

M652-0598 Screening compound: ethyl 1-{2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetyl}-4-piperidinecarboxylate
M652-0598 Screening compound: ethyl 1-{2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetyl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M652-0598
ethyl 1-{2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetyl}-4-piperidinecarboxylate

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

M652-0598

Molecular Formula

C19H22N6O4 (C19 H22 N6 O4)

Compound Name

ethyl 1-{2-[9-methyl-6-oxopyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-5(6H)-yl]acetyl}-4-piperidinecarboxylate

IUPAC name

ethyl 1-(2-{3-methyl-7-oxo-245813-pentaazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}acetyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CN(c1c(-n2c3nnc2C)nccc1)C3=O)=O)=O

InChI

InChI=1S/C19H22N6O4/c1-3-29-19(28)13-6-9-23(10-7-13)15(26)11-24-14-5-4-8-20-16(14)25-12(2)21-22-17(25)18(24)27/h4-5,8,13H,3,6-7,9-11H2,1-2H3

InChI Key

VVJTUPLFICTXIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.440

Distribution Coefficient, logD

-0.440

Water Solubility, LogSw

-1.22

Polar Surface Area

87.626

Acid Dissociation Constant (pKa)

21.72

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

M652-0598 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M652-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0598?
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What is the minimum amount of M652-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0598
  • 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 M652-0598 available by request