E667-2841 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-4-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

E667-2841 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-4-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine
E667-2841 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-4-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-2841
1-[2-(4-chlorophenoxy)ethyl]-4-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

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

E667-2841

Molecular Formula

C22H29ClN4O4S (C22 H29 ClN4 O4 S)

Compound Name

1-[2-(4-chlorophenoxy)ethyl]-4-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

IUPAC name

1-[2-(4-chlorophenoxy)ethyl]-4-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

SMILES

O=C(c1cc(S(N2CCCCC2)(=O)=O)c[nH]1)N1CCN(CCOc(cc2)ccc2Cl)CC1

InChI

InChI=1S/C22H29ClN4O4S/c23-18-4-6-19(7-5-18)31-15-14-25-10-12-26(13-11-25)22(28)21-16-20(17-24-21)32(29,30)27-8-2-1-3-9-27/h4-7,16-17,24H,1-3,8-15H2

InChI Key

OHCZKUOYJDROGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.64

Polar Surface Area

69.690

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E667-2841 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E667-2841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-2841?
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What is the minimum amount of E667-2841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-2841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-2841
  • 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 E667-2841 available by request