M575-0873 Screening compound: 2-methyl-1-(3-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-3-one

M575-0873 Screening compound: 2-methyl-1-(3-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-3-one
M575-0873 Screening compound: 2-methyl-1-(3-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M575-0873
2-methyl-1-(3-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-3-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

M575-0873

Molecular Formula

C17H22N2O2 (C17 H22 N2 O2)

Compound Name

2-methyl-1-(3-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-3-one

IUPAC name

2-methyl-1-(3-methylpiperidine-1-carbonyl)-1234-tetrahydroisoquinolin-3-one

SMILES

CC(CCC1)CN1C(C(c1c(C2)cccc1)N(C)C2=O)=O

InChI

InChI=1S/C17H22N2O2/c1-12-6-5-9-19(11-12)17(21)16-14-8-4-3-7-13(14)10-15(20)18(16)2/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3

InChI Key

DASXLAUNVRTHBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.953

Distribution Coefficient, logD

1.953

Water Solubility, LogSw

-2.27

Polar Surface Area

32.819

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

M575-0873 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M575-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M575-0873?
Check Price and Availability of M575-0873, 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 M575-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M575-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M575-0873
  • 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 M575-0873 available by request