4550-5819 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol

4550-5819 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol
4550-5819 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4550-5819
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)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

4550-5819

Molecular Formula

C20H25N3O5 (C20 H25 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N1CCN(CC(COc(cc2)ccc2[N+]([O-])=O)O)CC1

InChI

InChI=1S/C20H25N3O5/c1-27-19-6-2-16(3-7-19)22-12-10-21(11-13-22)14-18(24)15-28-20-8-4-17(5-9-20)23(25)26/h2-9,18,24H,10-15H2,1H3/t18-/m0/s1

InChI Key

ZMYQOCUQGBQAIG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01702683

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.13

Polar Surface Area

72.275

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4550-5819 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4550-5819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4550-5819?
Check Price and Availability of 4550-5819, 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 4550-5819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4550-5819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4550-5819
  • 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 4550-5819 available by request