M747-3133 Screening compound: N-isobutyl-4-[2-(4-pyridyloxy)ethyl]tetrahydro-1(2H)-pyridinecarboxamide

M747-3133 Screening compound: N-isobutyl-4-[2-(4-pyridyloxy)ethyl]tetrahydro-1(2H)-pyridinecarboxamide
M747-3133 Screening compound: N-isobutyl-4-[2-(4-pyridyloxy)ethyl]tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M747-3133
N-isobutyl-4-[2-(4-pyridyloxy)ethyl]tetrahydro-1(2H)-pyridinecarboxamide

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

M747-3133

Molecular Formula

C17H27N3O2 (C17 H27 N3 O2)

Compound Name

N-isobutyl-4-[2-(4-pyridyloxy)ethyl]tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(2-methylpropyl)-4-[2-(pyridin-4-yloxy)ethyl]piperidine-1-carboxamide

SMILES

CC(C)CNC(N1CCC(CCOc2ccncc2)CC1)=O

InChI

InChI=1S/C17H27N3O2/c1-14(2)13-19-17(21)20-10-5-15(6-11-20)7-12-22-16-3-8-18-9-4-16/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,19,21)

InChI Key

NGRCIWMDJCVADY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.472

Distribution Coefficient, logD

2.472

Water Solubility, LogSw

-2.39

Polar Surface Area

43.876

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.71

M747-3133 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M747-3133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M747-3133?
Check Price and Availability of M747-3133, 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 M747-3133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M747-3133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M747-3133
  • 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 M747-3133 available by request