M782-0549 Screening compound: N-(3-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

M782-0549 Screening compound: N-(3-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
M782-0549 Screening compound: N-(3-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M782-0549
N-(3-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

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

M782-0549

Molecular Formula

C20H31N3O (C20 H31 N3 O)

Compound Name

N-(3-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

IUPAC name

N-(3-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

SMILES

CC1CN(CC(CC2)CCN2C(Nc2cc(C)ccc2)=O)CCC1

InChI

InChI=1S/C20H31N3O/c1-16-5-3-7-19(13-16)21-20(24)23-11-8-18(9-12-23)15-22-10-4-6-17(2)14-22/h3,5,7,13,17-18H,4,6,8-12,14-15H2,1-2H3,(H,21,24)/t17-/m0/s1

InChI Key

LKYWSGPFWLCEJB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27553946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.710

Distribution Coefficient, logD

0.657

Water Solubility, LogSw

-3.79

Polar Surface Area

29.374

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

10.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

M782-0549 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M782-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M782-0549?
Check Price and Availability of M782-0549, 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 M782-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M782-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M782-0549
  • 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 M782-0549 available by request