5514-0106 Screening compound: 4-fluoro-N-[(Z)-(morpholin-4-yl)(phenyl)methylidene]benzene-1-sulfonamide

5514-0106 Screening compound: 4-fluoro-N-[(Z)-(morpholin-4-yl)(phenyl)methylidene]benzene-1-sulfonamide
5514-0106 Screening compound: 4-fluoro-N-[(Z)-(morpholin-4-yl)(phenyl)methylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5514-0106
4-fluoro-N-[(Z)-(morpholin-4-yl)(phenyl)methylidene]benzene-1-sulfonamide

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

5514-0106

Molecular Formula

C17H17FN2O3S (C17 H17 FN2 O3 S)

Compound Name

4-fluoro-N-[(Z)-(morpholin-4-yl)(phenyl)methylidene]benzene-1-sulfonamide

IUPAC name

4-fluoro-N-[(Z)-(morpholin-4-yl)(phenyl)methylidene]benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1F)(/N=C(/c1ccccc1)\N1CCOCC1)=O

InChI

InChI=1S/C17H17FN2O3S/c18-15-6-8-16(9-7-15)24(21,22)19-17(14-4-2-1-3-5-14)20-10-12-23-13-11-20/h1-9H,10-13H2

InChI Key

PQAIDXXYCKVEPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02659786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.710

Distribution Coefficient, logD

2.710

Water Solubility, LogSw

-2.89

Polar Surface Area

50.602

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5514-0106 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5514-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5514-0106?
Check Price and Availability of 5514-0106, 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 5514-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5514-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5514-0106
  • 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 5514-0106 available by request