M745-0241 Screening compound: 2-(3-methylphenoxy)-1-(4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-one

M745-0241 Screening compound: 2-(3-methylphenoxy)-1-(4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-one
M745-0241 Screening compound: 2-(3-methylphenoxy)-1-(4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M745-0241
2-(3-methylphenoxy)-1-(4-{[4-(pyrrolidine-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

M745-0241

Molecular Formula

C26H32N2O4 (C26 H32 N2 O4)

Compound Name

2-(3-methylphenoxy)-1-(4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-one

IUPAC name

2-(3-methylphenoxy)-1-(4-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)ethan-1-one

SMILES

Cc1cccc(OCC(N2CCC(COc(cc3)ccc3C(N3CCCC3)=O)CC2)=O)c1

InChI

InChI=1S/C26H32N2O4/c1-20-5-4-6-24(17-20)32-19-25(29)27-15-11-21(12-16-27)18-31-23-9-7-22(8-10-23)26(30)28-13-2-3-14-28/h4-10,17,21H,2-3,11-16,18-19H2,1H3

InChI Key

QZYKZFBKWBLOTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27552983

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

3.633

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-3.97

Polar Surface Area

48.100

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

M745-0241 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M745-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M745-0241?
Check Price and Availability of M745-0241, 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 M745-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M745-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M745-0241
  • 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 M745-0241 available by request