8206-0072 Screening compound: [1-(4-chlorophenyl)ethyl]({2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine

8206-0072 Screening compound: [1-(4-chlorophenyl)ethyl]({2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine
8206-0072 Screening compound: [1-(4-chlorophenyl)ethyl]({2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8206-0072
[1-(4-chlorophenyl)ethyl]({2-[4-(2-methoxyphenyl)-2-(propan-2-yl)oxan-4-yl]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

8206-0072

Molecular Formula

C25H34ClNO2 (C25 H34 ClNO2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(C1)OCCC1(CCNC(C)c(cc1)ccc1Cl)c(cccc1)c1OC

InChI

InChI=1S/C25H34ClNO2/c1-18(2)24-17-25(14-16-29-24,22-7-5-6-8-23(22)28-4)13-15-27-19(3)20-9-11-21(26)12-10-20/h5-12,18-19,24,27H,13-17H2,1-4H3

InChI Key

DZYXLXFXKIWHKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03673708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416

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

5.719

Distribution Coefficient, logD

4.821

Water Solubility, LogSw

-6.27

Polar Surface Area

26.205

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.00

8206-0072 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 8206-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8206-0072?
Check Price and Availability of 8206-0072, 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 8206-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8206-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8206-0072
  • 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 8206-0072 available by request