E966-1358 Screening compound: ethyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

E966-1358 Screening compound: ethyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
E966-1358 Screening compound: ethyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1358
ethyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

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

E966-1358

Molecular Formula

C22H29N3O5S (C22 H29 N3 O5 S)

Compound Name

ethyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-125-trimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(C)c1S(N(CC1)CCN1c(cc1)ccc1C(C)=O)(=O)=O)=O

InChI

InChI=1S/C22H29N3O5S/c1-6-30-22(27)20-15(2)23(5)16(3)21(20)31(28,29)25-13-11-24(12-14-25)19-9-7-18(8-10-19)17(4)26/h7-10H,6,11-14H2,1-5H3

InChI Key

ZITVADLLJLTVCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.875

Distribution Coefficient, logD

1.875

Water Solubility, LogSw

-2.46

Polar Surface Area

72.569

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

E966-1358 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E966-1358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1358?
Check Price and Availability of E966-1358, 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 E966-1358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1358
  • 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 E966-1358 available by request