0884-0022 Screening compound: 1-(4-{[4-(2-hydroxy-3-{4-[(Z)-3-phenyl-2-propenyl]piperazino}propoxy)phenyl]sulfonyl}phenoxy)-3-{4-[(Z)-3-phenyl-2-propenyl]piperazino}-2-propanol

0884-0022 Screening compound: 1-(4-{[4-(2-hydroxy-3-{4-[(Z)-3-phenyl-2-propenyl]piperazino}propoxy)phenyl]sulfonyl}phenoxy)-3-{4-[(Z)-3-phenyl-2-propenyl]piperazino}-2-propanol
0884-0022 Screening compound: 1-(4-{[4-(2-hydroxy-3-{4-[(Z)-3-phenyl-2-propenyl]piperazino}propoxy)phenyl]sulfonyl}phenoxy)-3-{4-[(Z)-3-phenyl-2-propenyl]piperazino}-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0884-0022
1-(4-{[4-(2-hydroxy-3-{4-[(Z)-3-phenyl-2-propenyl]piperazino}propoxy)phenyl]sulfonyl}phenoxy)-3-{4-[(Z)-3-phenyl-2-propenyl]piperazino}-2-propanol

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

0884-0022

Molecular Formula

C44H54N4O6S (C44 H54 N4 O6 S)

Compound Name

1-(4-{[4-(2-hydroxy-3-{4-[(Z)-3-phenyl-2-propenyl]piperazino}propoxy)phenyl]sulfonyl}phenoxy)-3-{4-[(Z)-3-phenyl-2-propenyl]piperazino}-2-propanol

IUPAC name

n/a

SMILES

OC(CN1CCN(C/C=C\c2ccccc2)CC1)COc(cc1)ccc1S(c(cc1)ccc1OCC(CN1CCN(C/C=C\c2ccccc2)CC1)O)(=O)=O

InChI

InChI=1S/C44H54N4O6S/c49-39(33-47-29-25-45(26-30-47)23-7-13-37-9-3-1-4-10-37)35-53-41-15-19-43(20-16-41)55(51,52)44-21-17-42(18-22-44)54-36-40(50)34-48-31-27-46(28-32-48)24-8-14-38-11-5-2-6-12-38/h1-22,39-40,49-50H,23-36H2

InChI Key

VRRVNGGSHYFJJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993105

Chemical and Physical Properties

Saltdata

4HCl

Molecular Weight

767

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.899

Distribution Coefficient, logD

5.704

Water Solubility, LogSw

-5.84

Polar Surface Area

92.479

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

0884-0022 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0884-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0884-0022?
Check Price and Availability of 0884-0022, 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 0884-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0884-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0884-0022
  • 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 0884-0022 available by request