M565-0180 Screening compound: 5-(4-methylpiperidine-1-carbonyl)isoquinoline

M565-0180 Screening compound: 5-(4-methylpiperidine-1-carbonyl)isoquinoline
M565-0180 Screening compound: 5-(4-methylpiperidine-1-carbonyl)isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound M565-0180
5-(4-methylpiperidine-1-carbonyl)isoquinoline

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

M565-0180

Molecular Formula

C16H18N2O (C16 H18 N2 O)

Compound Name

5-(4-methylpiperidine-1-carbonyl)isoquinoline

IUPAC name

5-(4-methylpiperidine-1-carbonyl)isoquinoline

SMILES

CC(CC1)CCN1C(c1cccc2cnccc12)=O

InChI

InChI=1S/C16H18N2O/c1-12-6-9-18(10-7-12)16(19)15-4-2-3-13-11-17-8-5-14(13)15/h2-5,8,11-12H,6-7,9-10H2,1H3

InChI Key

LNUQTYQXESGPGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27547300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.722

Distribution Coefficient, logD

2.722

Water Solubility, LogSw

-2.96

Polar Surface Area

26.133

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

M565-0180 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with M565-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M565-0180?
Check Price and Availability of M565-0180, 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 M565-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M565-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M565-0180
  • 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 M565-0180 available by request