M742-0149 Screening compound: 1-(2-ethoxybenzoyl)-3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine

M742-0149 Screening compound: 1-(2-ethoxybenzoyl)-3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine
M742-0149 Screening compound: 1-(2-ethoxybenzoyl)-3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M742-0149
1-(2-ethoxybenzoyl)-3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine

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

M742-0149

Molecular Formula

C26H32N2O4 (C26 H32 N2 O4)

Compound Name

1-(2-ethoxybenzoyl)-3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine

IUPAC name

1-(2-ethoxybenzoyl)-3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine

SMILES

CCOc(cccc1)c1C(N1CC(COc(cc2)ccc2C(N2CCCC2)=O)CCC1)=O

InChI

InChI=1S/C26H32N2O4/c1-2-31-24-10-4-3-9-23(24)26(30)28-17-7-8-20(18-28)19-32-22-13-11-21(12-14-22)25(29)27-15-5-6-16-27/h3-4,9-14,20H,2,5-8,15-19H2,1H3/t20-/m0/s1

InChI Key

ZYDDLPZXJMXWGQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27552511

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

3.664

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.02

Polar Surface Area

48.272

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

M742-0149 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M742-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M742-0149?
Check Price and Availability of M742-0149, 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 M742-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M742-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M742-0149
  • 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 M742-0149 available by request