E008-0109 Screening compound: 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-(3-phenylpropyl)acetamide

E008-0109 Screening compound: 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-(3-phenylpropyl)acetamide
E008-0109 Screening compound: 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E008-0109
2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-(3-phenylpropyl)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

E008-0109

Molecular Formula

C25H26N4OS (C25 H26 N4 OS)

Compound Name

2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-(3-phenylpropyl)acetamide

IUPAC name

2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-N-(3-phenylpropyl)acetamide

SMILES

O=C(CSCc1c(-n2cccc2)n(-c2ccccc2)nc1)NCCCc1ccccc1

InChI

InChI=1S/C25H26N4OS/c30-24(26-15-9-12-21-10-3-1-4-11-21)20-31-19-22-18-27-29(23-13-5-2-6-14-23)25(22)28-16-7-8-17-28/h1-8,10-11,13-14,16-18H,9,12,15,19-20H2,(H,26,30)

InChI Key

MFEQLYNQENUMQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.479

Distribution Coefficient, logD

5.479

Water Solubility, LogSw

-5.50

Polar Surface Area

41.136

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E008-0109 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with E008-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E008-0109?
Check Price and Availability of E008-0109, 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 E008-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E008-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E008-0109
  • 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 E008-0109 available by request