M745-0012 Screening compound: N,N-dimethyl-4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline

M745-0012 Screening compound: N,N-dimethyl-4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline
M745-0012 Screening compound: N,N-dimethyl-4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound M745-0012
N,N-dimethyl-4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline

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

M745-0012

Molecular Formula

C27H35N3O3 (C27 H35 N3 O3)

Compound Name

N,N-dimethyl-4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline

IUPAC name

NN-dimethyl-4-(4-{[4-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline

SMILES

CN(C)c(cc1)ccc1C(N1CCC(COc(cc2)ccc2C(N2CCCCC2)=O)CC1)=O

InChI

InChI=1S/C27H35N3O3/c1-28(2)24-10-6-22(7-11-24)27(32)30-18-14-21(15-19-30)20-33-25-12-8-23(9-13-25)26(31)29-16-4-3-5-17-29/h6-13,21H,3-5,14-20H2,1-2H3

InChI Key

BWZBFCMBFCJWTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27552899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-4.10

Polar Surface Area

43.567

Acid Dissociation Constant (pKa)

25.84

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

M745-0012 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M745-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M745-0012?
Check Price and Availability of M745-0012, 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 M745-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M745-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M745-0012
  • 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 M745-0012 available by request