M745-0042 Screening compound: 4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)benzonitrile

M745-0042 Screening compound: 4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)benzonitrile
M745-0042 Screening compound: 4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M745-0042
4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)benzonitrile

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

M745-0042

Molecular Formula

C26H29N3O3 (C26 H29 N3 O3)

Compound Name

4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)benzonitrile

IUPAC name

4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)benzonitrile

SMILES

N#Cc(cc1)ccc1C(N1CCC(COc(cc2)ccc2C(N2CCCCC2)=O)CC1)=O

InChI

InChI=1S/C26H29N3O3/c27-18-20-4-6-22(7-5-20)26(31)29-16-12-21(13-17-29)19-32-24-10-8-23(9-11-24)25(30)28-14-2-1-3-15-28/h4-11,21H,1-3,12-17,19H2

InChI Key

GMRXGRPONMXUGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27552918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.47

Polar Surface Area

57.819

Acid Dissociation Constant (pKa)

25.84

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

M745-0042 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M745-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M745-0042?
Check Price and Availability of M745-0042, 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 M745-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M745-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M745-0042
  • 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 M745-0042 available by request