E009-0097 Screening compound: N-(2,5-dimethoxyphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

E009-0097 Screening compound: N-(2,5-dimethoxyphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
E009-0097 Screening compound: N-(2,5-dimethoxyphenyl)-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 E009-0097
N-(2,5-dimethoxyphenyl)-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

E009-0097

Molecular Formula

C28H31N5O3 (C28 H31 N5 O3)

Compound Name

N-(2,5-dimethoxyphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

SMILES

COc(cc1)cc(NC(C2CCN(Cc3c(-n4cccc4)n(-c4ccccc4)nc3)CC2)=O)c1OC

InChI

InChI=1S/C28H31N5O3/c1-35-24-10-11-26(36-2)25(18-24)30-27(34)21-12-16-31(17-13-21)20-22-19-29-33(23-8-4-3-5-9-23)28(22)32-14-6-7-15-32/h3-11,14-15,18-19,21H,12-13,16-17,20H2,1-2H3,(H,30,34)

InChI Key

ZHPGEAXFYDMERE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

0.870

Water Solubility, LogSw

-4.05

Polar Surface Area

58.395

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E009-0097 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

CORONAVIRUS Library (20774 compounds)

Human Ion Channels Annotated Library (353 compounds)

PLpro Library (6343 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 E009-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E009-0097?
Check Price and Availability of E009-0097, 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 E009-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E009-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E009-0097
  • 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 E009-0097 available by request