E009-0114 Screening compound: N-[3-(methylsulfanyl)phenyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

E009-0114 Screening compound: N-[3-(methylsulfanyl)phenyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
E009-0114 Screening compound: N-[3-(methylsulfanyl)phenyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E009-0114
N-[3-(methylsulfanyl)phenyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

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

E009-0114

Molecular Formula

C27H29N5OS (C27 H29 N5 OS)

Compound Name

N-[3-(methylsulfanyl)phenyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

SMILES

CSc1cc(NC(C2CCN(Cc3c(-n4cccc4)n(-c4ccccc4)nc3)CC2)=O)ccc1

InChI

InChI=1S/C27H29N5OS/c1-34-25-11-7-8-23(18-25)29-26(33)21-12-16-30(17-13-21)20-22-19-28-32(24-9-3-2-4-10-24)27(22)31-14-5-6-15-31/h2-11,14-15,18-19,21H,12-13,16-17,20H2,1H3,(H,29,33)

InChI Key

AQRJTZDFWMTSNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

1.349

Water Solubility, LogSw

-4.20

Polar Surface Area

43.919

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

10.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

E009-0114 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Human Ion Channels Annotated Library (353 compounds)

PLpro Library (6343 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E009-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E009-0114?
Check Price and Availability of E009-0114, 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 E009-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E009-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E009-0114
  • 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 E009-0114 available by request