M742-0167 Screening compound: 2-phenyl-1-(3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)butan-1-one

M742-0167 Screening compound: 2-phenyl-1-(3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)butan-1-one
M742-0167 Screening compound: 2-phenyl-1-(3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M742-0167
2-phenyl-1-(3-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidin-1-yl)butan-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

M742-0167

Molecular Formula

C27H34N2O3 (C27 H34 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N1CC(COc(cc2)ccc2C(N2CCCC2)=O)CCC1)=O)c1ccccc1

InChI

InChI=1S/C27H34N2O3/c1-2-25(22-10-4-3-5-11-22)27(31)29-18-8-9-21(19-29)20-32-24-14-12-23(13-15-24)26(30)28-16-6-7-17-28/h3-5,10-15,21,25H,2,6-9,16-20H2,1H3

InChI Key

JLOJIEBLFUDOTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27552518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.47

Polar Surface Area

41.062

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

M742-0167 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M742-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M742-0167?
Check Price and Availability of M742-0167, 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 M742-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M742-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M742-0167
  • 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 M742-0167 available by request