4550-5844 Screening compound: 1-(2-tert-butylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol

4550-5844 Screening compound: 1-(2-tert-butylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
4550-5844 Screening compound: 1-(2-tert-butylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4550-5844
1-(2-tert-butylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol

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

4550-5844

Molecular Formula

C24H34N2O3 (C24 H34 N2 O3)

Compound Name

1-(2-tert-butylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol

IUPAC name

1-(2-tert-butylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol

SMILES

CC(C)(C)c(cccc1)c1OCC(CN(CC1)CCN1c(cc1)ccc1OC)O

InChI

InChI=1S/C24H34N2O3/c1-24(2,3)22-7-5-6-8-23(22)29-18-20(27)17-25-13-15-26(16-14-25)19-9-11-21(28-4)12-10-19/h5-12,20,27H,13-18H2,1-4H3/t20-/m0/s1

InChI Key

KOPOEFLWKCWVCH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03066563

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

4.584

Water Solubility, LogSw

-4.36

Polar Surface Area

38.980

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4550-5844 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4550-5844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4550-5844?
Check Price and Availability of 4550-5844, 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 4550-5844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4550-5844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4550-5844
  • 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 4550-5844 available by request