M742-0052 Screening compound: 1-(2,6-difluorobenzoyl)-3-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine

M742-0052 Screening compound: 1-(2,6-difluorobenzoyl)-3-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine
M742-0052 Screening compound: 1-(2,6-difluorobenzoyl)-3-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M742-0052
1-(2,6-difluorobenzoyl)-3-{[4-(piperidine-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

M742-0052

Molecular Formula

C25H28F2N2O3 (C25 H28 F2 N2 O3)

Compound Name

1-(2,6-difluorobenzoyl)-3-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine

IUPAC name

1-(26-difluorobenzoyl)-3-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine

SMILES

O=C(c(cc1)ccc1OCC(CCC1)CN1C(c(c(F)ccc1)c1F)=O)N1CCCCC1

InChI

InChI=1S/C25H28F2N2O3/c26-21-7-4-8-22(27)23(21)25(31)29-15-5-6-18(16-29)17-32-20-11-9-19(10-12-20)24(30)28-13-2-1-3-14-28/h4,7-12,18H,1-3,5-6,13-17H2/t18-/m0/s1

InChI Key

FZFFWPZCTNBRHR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27552491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-4.45

Polar Surface Area

40.696

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

M742-0052 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 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 M742-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M742-0052?
Check Price and Availability of M742-0052, 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 M742-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M742-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M742-0052
  • 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 M742-0052 available by request