M742-0203 Screening compound: 4-(3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)benzonitrile

M742-0203 Screening compound: 4-(3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)benzonitrile
M742-0203 Screening compound: 4-(3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M742-0203
4-(3-{[4-(pyrrolidine-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

M742-0203

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cc1)ccc1C(N1CC(COc(cc2)ccc2C(N2CCCC2)=O)CCC1)=O

InChI

InChI=1S/C25H27N3O3/c26-16-19-5-7-21(8-6-19)25(30)28-15-3-4-20(17-28)18-31-23-11-9-22(10-12-23)24(29)27-13-1-2-14-27/h5-12,20H,1-4,13-15,17-18H2/t20-/m0/s1

InChI Key

UIMKQQXAEGHBIP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27552537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

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

2.982

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.28

Polar Surface Area

58.118

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

M742-0203 in Drug Discovery

Included in Screening Libraries

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

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 M742-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M742-0203?
Check Price and Availability of M742-0203, 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 M742-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M742-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M742-0203
  • 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 M742-0203 available by request