E008-0017 Screening compound: 1-(4-cyclohexylpiperazin-1-yl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one

E008-0017 Screening compound: 1-(4-cyclohexylpiperazin-1-yl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one
E008-0017 Screening compound: 1-(4-cyclohexylpiperazin-1-yl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E008-0017
1-(4-cyclohexylpiperazin-1-yl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one

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

E008-0017

Molecular Formula

C26H33N5OS (C26 H33 N5 OS)

Compound Name

1-(4-cyclohexylpiperazin-1-yl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one

IUPAC name

1-(4-cyclohexylpiperazin-1-yl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)ethan-1-one

SMILES

O=C(CSCc1c(-n2cccc2)n(-c2ccccc2)nc1)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C26H33N5OS/c32-25(29-17-15-28(16-18-29)23-9-3-1-4-10-23)21-33-20-22-19-27-31(24-11-5-2-6-12-24)26(22)30-13-7-8-14-30/h2,5-8,11-14,19,23H,1,3-4,9-10,15-18,20-21H2

InChI Key

RZKKWVGEPDXVNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.51

Polar Surface Area

36.309

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

E008-0017 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • 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 E008-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E008-0017?
Check Price and Availability of E008-0017, 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 E008-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E008-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E008-0017
  • 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 E008-0017 available by request