M652-0620 Screening compound: 5-[2-(4-cyclohexylpiperazino)-2-oxoethyl]-9-methylpyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one

M652-0620 Screening compound: 5-[2-(4-cyclohexylpiperazino)-2-oxoethyl]-9-methylpyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one
M652-0620 Screening compound: 5-[2-(4-cyclohexylpiperazino)-2-oxoethyl]-9-methylpyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazin-6(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M652-0620
5-[2-(4-cyclohexylpiperazino)-2-oxoethyl]-9-methylpyrido[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

M652-0620

Molecular Formula

C21H27N7O2 (C21 H27 N7 O2)

Compound Name

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

IUPAC name

8-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-245813-pentaazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-7-one

SMILES

Cc1nnc2n1-c(nccc1)c1N(CC(N(CC1)CCN1C1CCCCC1)=O)C2=O

InChI

InChI=1S/C21H27N7O2/c1-15-23-24-20-21(30)27(17-8-5-9-22-19(17)28(15)20)14-18(29)26-12-10-25(11-13-26)16-6-3-2-4-7-16/h5,8-9,16H,2-4,6-7,10-14H2,1H3

InChI Key

PCIMQAJAVRXYGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.305

Distribution Coefficient, logD

0.143

Water Solubility, LogSw

-1.28

Polar Surface Area

69.965

Acid Dissociation Constant (pKa)

21.72

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

M652-0620 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M652-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M652-0620?
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What is the minimum amount of M652-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M652-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M652-0620
  • 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 M652-0620 available by request