E958-0697 Screening compound: ({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[2-(thiophen-2-yl)ethyl]amine

E958-0697 Screening compound: ({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[2-(thiophen-2-yl)ethyl]amine
E958-0697 Screening compound: ({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[2-(thiophen-2-yl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0697
({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[2-(thiophen-2-yl)ethyl]amine

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

E958-0697

Molecular Formula

C24H28N6S2 (C24 H28 N6 S2)

Compound Name

({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[2-(thiophen-2-yl)ethyl]amine

IUPAC name

({1-[5-(4-benzylpiperazin-1-yl)-134-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)[2-(thiophen-2-yl)ethyl]amine

SMILES

C(CNCc1cccn1-c1nnc(N2CCN(Cc3ccccc3)CC2)s1)c1cccs1

InChI

InChI=1S/C24H28N6S2/c1-2-6-20(7-3-1)19-28-13-15-29(16-14-28)23-26-27-24(32-23)30-12-4-8-21(30)18-25-11-10-22-9-5-17-31-22/h1-9,12,17,25H,10-11,13-16,18-19H2

InChI Key

IUSWEKPKRNOPSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-4.05

Polar Surface Area

45.520

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E958-0697 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E958-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0697?
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What is the minimum amount of E958-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0697
  • 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 E958-0697 available by request