E557-0125 Screening compound: 4-[(4-benzylpiperazin-1-yl)sulfonyl]thiophene-2-carboxamide

E557-0125 Screening compound: 4-[(4-benzylpiperazin-1-yl)sulfonyl]thiophene-2-carboxamide
E557-0125 Screening compound: 4-[(4-benzylpiperazin-1-yl)sulfonyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E557-0125
4-[(4-benzylpiperazin-1-yl)sulfonyl]thiophene-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

E557-0125

Molecular Formula

C16H19N3O3S2 (C16 H19 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

NC(c1cc(S(N2CCN(Cc3ccccc3)CC2)(=O)=O)cs1)=O

InChI

InChI=1S/C16H19N3O3S2/c17-16(20)15-10-14(12-23-15)24(21,22)19-8-6-18(7-9-19)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H2,17,20)

InChI Key

PBHIMJOUOLDNFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08146274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.274

Distribution Coefficient, logD

1.267

Water Solubility, LogSw

-2.33

Polar Surface Area

70.567

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

E557-0125 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E557-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E557-0125?
Check Price and Availability of E557-0125, 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 E557-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E557-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E557-0125
  • 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 E557-0125 available by request