5610-0460 Screening compound: 1-{4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl}-3-(4-methylphenoxy)propan-2-ol

5610-0460 Screening compound: 1-{4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl}-3-(4-methylphenoxy)propan-2-ol
5610-0460 Screening compound: 1-{4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl}-3-(4-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5610-0460
1-{4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl}-3-(4-methylphenoxy)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

5610-0460

Molecular Formula

C24H34N2O4 (C24 H34 N2 O4)

Compound Name

1-{4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl}-3-(4-methylphenoxy)propan-2-ol

IUPAC name

1-{4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl}-3-(4-methylphenoxy)propan-2-ol

SMILES

Cc(cc1)ccc1OCC(CN1CCN(CC(COc2ccc(C)cc2)O)CC1)O

InChI

InChI=1S/C24H34N2O4/c1-19-3-7-23(8-4-19)29-17-21(27)15-25-11-13-26(14-12-25)16-22(28)18-30-24-9-5-20(2)6-10-24/h3-10,21-22,27-28H,11-18H2,1-2H3

InChI Key

LFYFXAZBXJEOBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01108064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.399

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.09

Polar Surface Area

55.749

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

5610-0460 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5610-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5610-0460?
Check Price and Availability of 5610-0460, 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 5610-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5610-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5610-0460
  • 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 5610-0460 available by request