3558-0100 Screening compound: N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}furan-2-carboxamide

3558-0100 Screening compound: N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}furan-2-carboxamide
3558-0100 Screening compound: N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3558-0100
N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}furan-2-carboxamide

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

3558-0100

Molecular Formula

C17H20N2O5S (C17 H20 N2 O5 S)

Compound Name

N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}furan-2-carboxamide

IUPAC name

N-{4-[(26-dimethylmorpholin-4-yl)sulfonyl]phenyl}furan-2-carboxamide

SMILES

CC(C1)OC(C)CN1S(c(cc1)ccc1NC(c1ccco1)=O)(=O)=O

InChI

InChI=1S/C17H20N2O5S/c1-12-10-19(11-13(2)24-12)25(21,22)15-7-5-14(6-8-15)18-17(20)16-4-3-9-23-16/h3-9,12-13H,10-11H2,1-2H3,(H,18,20)

InChI Key

QLZFOXDTTILUAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.815

Distribution Coefficient, logD

1.808

Water Solubility, LogSw

-2.59

Polar Surface Area

70.551

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

3558-0100 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 3558-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3558-0100?
Check Price and Availability of 3558-0100, 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 3558-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3558-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3558-0100
  • 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 3558-0100 available by request