M064-0995 Screening compound: 5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[4,3-c]pyridin-4-one

M064-0995 Screening compound: 5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[4,3-c]pyridin-4-one
M064-0995 Screening compound: 5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[4,3-c]pyridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M064-0995
5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[4,3-c]pyridin-4-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

M064-0995

Molecular Formula

C27H28ClN5O2 (C27 H28 ClN5 O2)

Compound Name

5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[4,3-c]pyridin-4-one

IUPAC name

5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1-(4-methylphenyl)-1H4H5H-pyrazolo[43-c]pyridin-4-one

SMILES

Cc(c1c2C=CN(CC(N(CC3)CCN3c3c(C)ccc(Cl)c3)=O)C1=O)nn2-c1ccc(C)cc1

InChI

InChI=1S/C27H28ClN5O2/c1-18-4-8-22(9-5-18)33-23-10-11-32(27(35)26(23)20(3)29-33)17-25(34)31-14-12-30(13-15-31)24-16-21(28)7-6-19(24)2/h4-11,16H,12-15,17H2,1-3H3

InChI Key

WPHARZBNVZNLHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.61

Polar Surface Area

49.436

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

M064-0995 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M064-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M064-0995?
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What is the minimum amount of M064-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M064-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M064-0995
  • 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 M064-0995 available by request