M745-0053 Screening compound: 2-phenoxy-1-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-one

M745-0053 Screening compound: 2-phenoxy-1-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-one
M745-0053 Screening compound: 2-phenoxy-1-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M745-0053
2-phenoxy-1-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-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

M745-0053

Molecular Formula

C26H32N2O4 (C26 H32 N2 O4)

Compound Name

2-phenoxy-1-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-one

IUPAC name

2-phenoxy-1-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-one

SMILES

O=C(COc1ccccc1)N1CCC(COc(cc2)ccc2C(N2CCCCC2)=O)CC1

InChI

InChI=1S/C26H32N2O4/c29-25(20-32-23-7-3-1-4-8-23)27-17-13-21(14-18-27)19-31-24-11-9-22(10-12-24)26(30)28-15-5-2-6-16-28/h1,3-4,7-12,21H,2,5-6,13-20H2

InChI Key

QEAPDNXYQYOOPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27552924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.57

Polar Surface Area

47.734

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

M745-0053 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M745-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M745-0053?
Check Price and Availability of M745-0053, 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 M745-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M745-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M745-0053
  • 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 M745-0053 available by request