C224-1539 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide

C224-1539 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
C224-1539 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C224-1539
N-(2H-1,3-benzodioxol-5-yl)-1-(thiophene-2-sulfonyl)piperidine-4-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

C224-1539

Molecular Formula

C17H18N2O5S2 (C17 H18 N2 O5 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c1cccs1)(=O)=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H18N2O5S2/c20-17(18-13-3-4-14-15(10-13)24-11-23-14)12-5-7-19(8-6-12)26(21,22)16-2-1-9-25-16/h1-4,9-10,12H,5-8,11H2,(H,18,20)

InChI Key

RNTXYSYGTCBJPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02250110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

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

2.186

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-2.92

Polar Surface Area

73.174

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C224-1539 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C224-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C224-1539?
Check Price and Availability of C224-1539, 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 C224-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C224-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C224-1539
  • 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 C224-1539 available by request