S425-0072 Screening compound: [4-(2-methoxyethoxy)piperidino](1-methyl-1H-pyrrol-2-yl)methanone

S425-0072 Screening compound: [4-(2-methoxyethoxy)piperidino](1-methyl-1H-pyrrol-2-yl)methanone
S425-0072 Screening compound: [4-(2-methoxyethoxy)piperidino](1-methyl-1H-pyrrol-2-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S425-0072
[4-(2-methoxyethoxy)piperidino](1-methyl-1H-pyrrol-2-yl)methanone

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

S425-0072

Molecular Formula

C14H22N2O3 (C14 H22 N2 O3)

Compound Name

[4-(2-methoxyethoxy)piperidino](1-methyl-1H-pyrrol-2-yl)methanone

IUPAC name

4-(2-methoxyethoxy)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

SMILES

Cn1c(C(N(CC2)CCC2OCCOC)=O)ccc1

InChI

InChI=1S/C14H22N2O3/c1-15-7-3-4-13(15)14(17)16-8-5-12(6-9-16)19-11-10-18-2/h3-4,7,12H,5-6,8-11H2,1-2H3

InChI Key

AXGAPIIZJNWCGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.992

Distribution Coefficient, logD

0.992

Water Solubility, LogSw

-1.57

Polar Surface Area

34.578

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.29

S425-0072 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Eye
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S425-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S425-0072?
Check Price and Availability of S425-0072, 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 S425-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S425-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S425-0072
  • 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 S425-0072 available by request