E009-0102 Screening compound: N-(2-chloro-4-methylphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

E009-0102 Screening compound: N-(2-chloro-4-methylphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
E009-0102 Screening compound: N-(2-chloro-4-methylphenyl)-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 E009-0102
N-(2-chloro-4-methylphenyl)-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

E009-0102

Molecular Formula

C27H28ClN5O (C27 H28 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1NC(C1CCN(Cc2c(-n3cccc3)n(-c3ccccc3)nc2)CC1)=O

InChI

InChI=1S/C27H28ClN5O/c1-20-9-10-25(24(28)17-20)30-26(34)21-11-15-31(16-12-21)19-22-18-29-33(23-7-3-2-4-8-23)27(22)32-13-5-6-14-32/h2-10,13-14,17-18,21H,11-12,15-16,19H2,1H3,(H,30,34)

InChI Key

CMQGNIUHXRYDSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

1.910

Water Solubility, LogSw

-5.82

Polar Surface Area

43.221

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

E009-0102 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 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 E009-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E009-0102?
Check Price and Availability of E009-0102, 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 E009-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E009-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E009-0102
  • 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 E009-0102 available by request