8356-0088 Screening compound: [1-(4-chlorophenyl)ethyl]({2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl})amine

8356-0088 Screening compound: [1-(4-chlorophenyl)ethyl]({2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl})amine
8356-0088 Screening compound: [1-(4-chlorophenyl)ethyl]({2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8356-0088
[1-(4-chlorophenyl)ethyl]({2-[2-ethyl-2-methyl-4-(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

8356-0088

Molecular Formula

C21H34ClNO (C21 H34 ClNO)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)(C1)OCCC1(CCNC(C)c(cc1)ccc1Cl)C(C)C

InChI

InChI=1S/C21H34ClNO/c1-6-20(5)15-21(16(2)3,12-14-24-20)11-13-23-17(4)18-7-9-19(22)10-8-18/h7-10,16-17,23H,6,11-15H2,1-5H3

InChI Key

FRRPVDBEADNXFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05682777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.96

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.386

Distribution Coefficient, logD

4.872

Water Solubility, LogSw

-6.27

Polar Surface Area

18.385

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

71.40

8356-0088 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8356-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8356-0088?
Check Price and Availability of 8356-0088, 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 8356-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8356-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8356-0088
  • 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 8356-0088 available by request