4550-5834 Screening compound: 1-(3,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol

4550-5834 Screening compound: 1-(3,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
4550-5834 Screening compound: 1-(3,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4550-5834
1-(3,5-dimethylphenoxy)-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

4550-5834

Molecular Formula

C22H30N2O3 (C22 H30 N2 O3)

Compound Name

1-(3,5-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol

IUPAC name

1-(35-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol

SMILES

Cc1cc(OCC(CN(CC2)CCN2c(cc2)ccc2OC)O)cc(C)c1

InChI

InChI=1S/C22H30N2O3/c1-17-12-18(2)14-22(13-17)27-16-20(25)15-23-8-10-24(11-9-23)19-4-6-21(26-3)7-5-19/h4-7,12-14,20,25H,8-11,15-16H2,1-3H3/t20-/m0/s1

InChI Key

ANHRWVDCNNUDFZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03826879

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.15

Polar Surface Area

38.894

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

4550-5834 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Pool
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4550-5834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4550-5834?
Check Price and Availability of 4550-5834, 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 4550-5834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4550-5834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4550-5834
  • 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 4550-5834 available by request