8206-0071 Screening compound: N-{2-[2-isopropyl-4-(2-methoxyphenyl)tetrahydro-2H-pyran-4-yl]ethyl}-N-[1-(2-thienyl)ethyl]amine

8206-0071 Screening compound: N-{2-[2-isopropyl-4-(2-methoxyphenyl)tetrahydro-2H-pyran-4-yl]ethyl}-N-[1-(2-thienyl)ethyl]amine
8206-0071 Screening compound: N-{2-[2-isopropyl-4-(2-methoxyphenyl)tetrahydro-2H-pyran-4-yl]ethyl}-N-[1-(2-thienyl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8206-0071
N-{2-[2-isopropyl-4-(2-methoxyphenyl)tetrahydro-2H-pyran-4-yl]ethyl}-N-[1-(2-thienyl)ethyl]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

8206-0071

Molecular Formula

C23H33NO2S (C23 H33 NO2 S)

Compound Name

N-{2-[2-isopropyl-4-(2-methoxyphenyl)tetrahydro-2H-pyran-4-yl]ethyl}-N-[1-(2-thienyl)ethyl]amine

IUPAC name

{2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl}[1-(thiophen-2-yl)ethyl]amine

SMILES

CC(C)C(C1)OCCC1(CCNC(C)c1cccs1)c(cccc1)c1OC

InChI

InChI=1S/C23H33NO2S/c1-17(2)21-16-23(12-14-26-21,19-8-5-6-9-20(19)25-4)11-13-24-18(3)22-10-7-15-27-22/h5-10,15,17-18,21,24H,11-14,16H2,1-4H3

InChI Key

CEYBVEUXOMNZSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03682636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.676

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-4.43

Polar Surface Area

27.223

Acid Dissociation Constant (pKa)

25.72

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

56.52

8206-0071 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8206-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8206-0071?
Check Price and Availability of 8206-0071, 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 8206-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8206-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8206-0071
  • 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 8206-0071 available by request