E008-0160 Screening compound: 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide

E008-0160 Screening compound: 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide
E008-0160 Screening compound: 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E008-0160
2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide

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

E008-0160

Molecular Formula

C21H20N4OS2 (C21 H20 N4 OS2)

Compound Name

2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide

SMILES

O=C(CSCc1c(-n2cccc2)n(-c2ccccc2)nc1)NCc1cccs1

InChI

InChI=1S/C21H20N4OS2/c26-20(22-14-19-9-6-12-28-19)16-27-15-17-13-23-25(18-7-2-1-3-8-18)21(17)24-10-4-5-11-24/h1-13H,14-16H2,(H,22,26)

InChI Key

NPRCWFGQYHVWIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.55

Polar Surface Area

42.313

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E008-0160 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 compounds)

SH2 Library (10483 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with E008-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E008-0160?
Check Price and Availability of E008-0160, 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 E008-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E008-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E008-0160
  • 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 E008-0160 available by request