E009-0026 Screening compound: 8-(1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

E009-0026 Screening compound: 8-(1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
E009-0026 Screening compound: 8-(1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound E009-0026
8-(1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

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

E009-0026

Molecular Formula

C27H33N5O3 (C27 H33 N5 O3)

Compound Name

8-(1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-(1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carbonyl)-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(C1CCN(Cc2c(-n3cccc3)n(-c3ccccc3)nc2)CC1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C27H33N5O3/c33-26(31-16-10-27(11-17-31)34-18-19-35-27)22-8-14-29(15-9-22)21-23-20-28-32(24-6-2-1-3-7-24)25(23)30-12-4-5-13-30/h1-7,12-13,20,22H,8-11,14-19,21H2

InChI Key

NKBUYLFCTGVVKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.920

Distribution Coefficient, logD

-0.740

Water Solubility, LogSw

-2.86

Polar Surface Area

51.913

Acid Dissociation Constant (pKa)

23.93

Base Dissociation Constant (pKb)

11.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

E009-0026 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E009-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E009-0026?
Check Price and Availability of E009-0026, 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 E009-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E009-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E009-0026
  • 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 E009-0026 available by request