M652-0028 Screening compound: 5-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one

M652-0028 Screening compound: 5-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one
M652-0028 Screening compound: 5-{2-[4-(2,3-dimethylphenyl)piperazino]-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 M652-0028
5-{2-[4-(2,3-dimethylphenyl)piperazino]-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

M652-0028

Molecular Formula

C22H23N7O2 (C22 H23 N7 O2)

Compound Name

5-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one

IUPAC name

8-{2-[4-(23-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-245813-pentaazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-7-one

SMILES

Cc1cccc(N(CC2)CCN2C(CN(c2c(-n3c4nnc3)nccc2)C4=O)=O)c1C

InChI

InChI=1S/C22H23N7O2/c1-15-5-3-6-17(16(15)2)26-9-11-27(12-10-26)19(30)13-28-18-7-4-8-23-20(18)29-14-24-25-21(29)22(28)31/h3-8,14H,9-13H2,1-2H3

InChI Key

YRRRPLDOLVHKMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27644012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.598

Distribution Coefficient, logD

1.594

Water Solubility, LogSw

-1.73

Polar Surface Area

69.506

Acid Dissociation Constant (pKa)

21.72

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M652-0028 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M652-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0028?
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What is the minimum amount of M652-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0028
  • 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 M652-0028 available by request