E614-0065 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

E614-0065 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine
E614-0065 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E614-0065
1-[2-(4-chlorophenoxy)ethyl]-4-[3-(thiophen-2-yl)-1H-pyrazole-5-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

E614-0065

Molecular Formula

C20H21ClN4O2S (C20 H21 ClN4 O2 S)

Compound Name

1-[2-(4-chlorophenoxy)ethyl]-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

IUPAC name

1-[2-(4-chlorophenoxy)ethyl]-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

SMILES

O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(CCOc(cc2)ccc2Cl)CC1

InChI

InChI=1S/C20H21ClN4O2S/c21-15-3-5-16(6-4-15)27-12-11-24-7-9-25(10-8-24)20(26)18-14-17(22-23-18)19-2-1-13-28-19/h1-6,13-14H,7-12H2,(H,22,23)

InChI Key

DAKIPXFRGWMNRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.42

Polar Surface Area

51.331

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E614-0065 in Drug Discovery

Included in Screening Libraries

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with E614-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E614-0065?
Check Price and Availability of E614-0065, 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 E614-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E614-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E614-0065
  • 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 E614-0065 available by request