S688-0113 Screening compound: 4-(2-methoxyethyl)-N,N-dimethyl-1-(1-phenylcyclopropanecarbonyl)piperidin-4-amine

S688-0113 Screening compound: 4-(2-methoxyethyl)-N,N-dimethyl-1-(1-phenylcyclopropanecarbonyl)piperidin-4-amine
S688-0113 Screening compound: 4-(2-methoxyethyl)-N,N-dimethyl-1-(1-phenylcyclopropanecarbonyl)piperidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-0113
4-(2-methoxyethyl)-N,N-dimethyl-1-(1-phenylcyclopropanecarbonyl)piperidin-4-amine

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

S688-0113

Molecular Formula

C20H30N2O2 (C20 H30 N2 O2)

Compound Name

4-(2-methoxyethyl)-N,N-dimethyl-1-(1-phenylcyclopropanecarbonyl)piperidin-4-amine

IUPAC name

4-(2-methoxyethyl)-NN-dimethyl-1-(1-phenylcyclopropanecarbonyl)piperidin-4-amine

SMILES

CN(C)C(CCOC)(CC1)CCN1C(C1(CC1)c1ccccc1)=O

InChI

InChI=1S/C20H30N2O2/c1-21(2)19(13-16-24-3)11-14-22(15-12-19)18(23)20(9-10-20)17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3

InChI Key

SPTCMPKZEDQACR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.160

Distribution Coefficient, logD

-0.811

Water Solubility, LogSw

-2.21

Polar Surface Area

27.874

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

10.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S688-0113 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S688-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-0113?
Check Price and Availability of S688-0113, 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 S688-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-0113
  • 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 S688-0113 available by request