S214-0165 Screening compound: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-(pyrrolidin-1-yl)piperidin-4-ol

S214-0165 Screening compound: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-(pyrrolidin-1-yl)piperidin-4-ol
S214-0165 Screening compound: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-(pyrrolidin-1-yl)piperidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S214-0165
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-(pyrrolidin-1-yl)piperidin-4-ol

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

S214-0165

Molecular Formula

C20H32N2O3 (C20 H32 N2 O3)

Compound Name

1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-(pyrrolidin-1-yl)piperidin-4-ol

IUPAC name

(3R4R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-(pyrrolidin-1-yl)piperidin-4-ol

SMILES

CCOc(ccc(CN(CC[C@]1(C)O)C[C@@H]1N1CCCC1)c1)c1OC

InChI

InChI=1S/C20H32N2O3/c1-4-25-17-8-7-16(13-18(17)24-3)14-21-12-9-20(2,23)19(15-21)22-10-5-6-11-22/h7-8,13,19,23H,4-6,9-12,14-15H2,1-3H3/t19-,20-/m0/s1

InChI Key

ITHZCBYHSYZWDA-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.943

Distribution Coefficient, logD

0.471

Water Solubility, LogSw

-2.02

Polar Surface Area

36.995

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.00

S214-0165 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S214-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S214-0165?
Check Price and Availability of S214-0165, 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 S214-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S214-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S214-0165
  • 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 S214-0165 available by request