M747-1036 Screening compound: N,N-dimethyl-3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]aniline

M747-1036 Screening compound: N,N-dimethyl-3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]aniline
M747-1036 Screening compound: N,N-dimethyl-3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound M747-1036
N,N-dimethyl-3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]aniline

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

M747-1036

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

N,N-dimethyl-3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]aniline

IUPAC name

NN-dimethyl-3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]aniline

SMILES

CN(C)c1cccc(C(N2CCC(CCOc3ccccc3)CC2)=O)c1

InChI

InChI=1S/C22H28N2O2/c1-23(2)20-8-6-7-19(17-20)22(25)24-14-11-18(12-15-24)13-16-26-21-9-4-3-5-10-21/h3-10,17-18H,11-16H2,1-2H3

InChI Key

IUQHREQUZJJPDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

4.327

Water Solubility, LogSw

-4.32

Polar Surface Area

26.838

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

M747-1036 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M747-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M747-1036?
Check Price and Availability of M747-1036, 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 M747-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M747-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M747-1036
  • 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 M747-1036 available by request