E557-0081 Screening compound: 4-[(4-methylpiperidino)sulfonyl]-2-thiophenecarboxamide

E557-0081 Screening compound: 4-[(4-methylpiperidino)sulfonyl]-2-thiophenecarboxamide
E557-0081 Screening compound: 4-[(4-methylpiperidino)sulfonyl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E557-0081
4-[(4-methylpiperidino)sulfonyl]-2-thiophenecarboxamide

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

E557-0081

Molecular Formula

C11H16N2O3S2 (C11 H16 N2 O3 S2)

Compound Name

4-[(4-methylpiperidino)sulfonyl]-2-thiophenecarboxamide

IUPAC name

4-[(4-methylpiperidin-1-yl)sulfonyl]thiophene-2-carboxamide

SMILES

CC(CC1)CCN1S(c1csc(C(N)=O)c1)(=O)=O

InChI

InChI=1S/C11H16N2O3S2/c1-8-2-4-13(5-3-8)18(15,16)9-6-10(11(12)14)17-7-9/h6-8H,2-5H2,1H3,(H2,12,14)

InChI Key

GUHPTOKXULIIFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08144129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.345

Distribution Coefficient, logD

1.345

Water Solubility, LogSw

-1.89

Polar Surface Area

67.027

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

E557-0081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E557-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E557-0081?
Check Price and Availability of E557-0081, 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 E557-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E557-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E557-0081
  • 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 E557-0081 available by request