4049-0417 Screening compound: 4-(3-METHOXYPHENYL)PIPERAZINO (8-QUINOLYL) SULFONE

4049-0417 Screening compound: 4-(3-METHOXYPHENYL)PIPERAZINO (8-QUINOLYL) SULFONE
4049-0417 Screening compound: 4-(3-METHOXYPHENYL)PIPERAZINO (8-QUINOLYL) SULFONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4049-0417
4-(3-METHOXYPHENYL)PIPERAZINO (8-QUINOLYL) SULFONE

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

4049-0417

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

4-(3-METHOXYPHENYL)PIPERAZINO (8-QUINOLYL) SULFONE

IUPAC name

n/a

SMILES

COc1cccc(N(CC2)CCN2S(c2cccc3cccnc23)(=O)=O)c1

InChI

InChI=1S/C20H21N3O3S/c1-26-18-8-3-7-17(15-18)22-11-13-23(14-12-22)27(24,25)19-9-2-5-16-6-4-10-21-20(16)19/h2-10,15H,11-14H2,1H3

InChI Key

LZUITPWGNHGYBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02931923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.841

Distribution Coefficient, logD

2.841

Water Solubility, LogSw

-3.28

Polar Surface Area

52.287

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

4049-0417 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 4049-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4049-0417?
Check Price and Availability of 4049-0417, 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 4049-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4049-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4049-0417
  • 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 4049-0417 available by request