S632-3076 Screening compound: 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-(pyrrolidin-3-yl)piperidine

S632-3076 Screening compound: 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-(pyrrolidin-3-yl)piperidine
S632-3076 Screening compound: 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-(pyrrolidin-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-3076
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-(pyrrolidin-3-yl)piperidine

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

S632-3076

Molecular Formula

C18H27ClN2O2 (C18 H27 ClN2 O2)

Compound Name

1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-(pyrrolidin-3-yl)piperidine

IUPAC name

1-[(2-chloro-34-dimethoxyphenyl)methyl]-4-(pyrrolidin-3-yl)piperidine

SMILES

COc1ccc(CN(CC2)CCC2C2CNCC2)c(Cl)c1OC

InChI

InChI=1S/C18H27ClN2O2/c1-22-16-4-3-15(17(19)18(16)23-2)12-21-9-6-13(7-10-21)14-5-8-20-11-14/h3-4,13-14,20H,5-12H2,1-2H3/t14-/m0/s1

InChI Key

QYFDUVCJFXYRFM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29016741

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

338.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

0.199

Water Solubility, LogSw

-3.72

Polar Surface Area

31.497

Acid Dissociation Constant (pKa)

25.72

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

S632-3076 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S632-3076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-3076?
Check Price and Availability of S632-3076, 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 S632-3076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-3076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-3076
  • 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 S632-3076 available by request