3910-0377 Screening compound: 1-[4-(3-{4-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl}-2-hydroxypropoxy)phenyl]ethan-1-one

3910-0377 Screening compound: 1-[4-(3-{4-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl}-2-hydroxypropoxy)phenyl]ethan-1-one
3910-0377 Screening compound: 1-[4-(3-{4-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl}-2-hydroxypropoxy)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3910-0377
1-[4-(3-{4-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl}-2-hydroxypropoxy)phenyl]ethan-1-one

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

3910-0377

Molecular Formula

C26H34N2O6 (C26 H34 N2 O6)

Compound Name

1-[4-(3-{4-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl}-2-hydroxypropoxy)phenyl]ethan-1-one

IUPAC name

1-[4-(3-{4-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl}-2-hydroxypropoxy)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1OCC(CN1CCN(CC(COc(cc2)ccc2C(C)=O)O)CC1)O)=O

InChI

InChI=1S/C26H34N2O6/c1-19(29)21-3-7-25(8-4-21)33-17-23(31)15-27-11-13-28(14-12-27)16-24(32)18-34-26-9-5-22(6-10-26)20(2)30/h3-10,23-24,31-32H,11-18H2,1-2H3

InChI Key

OAJPQFYTCQEFGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01849343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.637

Distribution Coefficient, logD

1.458

Water Solubility, LogSw

-1.85

Polar Surface Area

83.402

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

3910-0377 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 3910-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3910-0377?
Check Price and Availability of 3910-0377, 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 3910-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3910-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3910-0377
  • 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 3910-0377 available by request