S632-1364 Screening compound: {(3S,4S)-4-[1-(2-ethoxybenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol

S632-1364 Screening compound: {(3S,4S)-4-[1-(2-ethoxybenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol
S632-1364 Screening compound: {(3S,4S)-4-[1-(2-ethoxybenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-1364
{(3S,4S)-4-[1-(2-ethoxybenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol

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

S632-1364

Molecular Formula

C19H30N2O2 (C19 H30 N2 O2)

Compound Name

{(3S,4S)-4-[1-(2-ethoxybenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol

IUPAC name

[(3S4S)-4-{1-[(2-ethoxyphenyl)methyl]piperidin-4-yl}pyrrolidin-3-yl]methanol

SMILES

CCOc1c(CN(CC2)CCC2[C@@H]2[C@@H](CO)CNC2)cccc1

InChI

InChI=1S/C19H30N2O2/c1-2-23-19-6-4-3-5-16(19)13-21-9-7-15(8-10-21)18-12-20-11-17(18)14-22/h3-6,15,17-18,20,22H,2,7-14H2,1H3/t17-,18-/m1/s1

InChI Key

BLDWUIBPTOBVFT-QZTJIDSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

318.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

-1.206

Water Solubility, LogSw

-2.09

Polar Surface Area

40.406

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

10.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.42

S632-1364 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S632-1364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-1364?
Check Price and Availability of S632-1364, 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 S632-1364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-1364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-1364
  • 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 S632-1364 available by request