E587-0053 Screening compound: 2-(3-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide

E587-0053 Screening compound: 2-(3-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide
E587-0053 Screening compound: 2-(3-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0053
2-(3-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide

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

E587-0053

Molecular Formula

C21H29N3O2S (C21 H29 N3 O2 S)

Compound Name

2-(3-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide

IUPAC name

2-(3-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)-NN-diethylacetamide

SMILES

CCN(CC)C(Cn1c(cccc2)c2c(SCC(NC2CCCC2)=O)c1)=O

InChI

InChI=1S/C21H29N3O2S/c1-3-23(4-2)21(26)14-24-13-19(17-11-7-8-12-18(17)24)27-15-20(25)22-16-9-5-6-10-16/h7-8,11-13,16H,3-6,9-10,14-15H2,1-2H3,(H,22,25)

InChI Key

ICWYBESVVJZLFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

2.855

Water Solubility, LogSw

-3.06

Polar Surface Area

41.938

Acid Dissociation Constant (pKa)

16.29

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

E587-0053 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E587-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0053?
Check Price and Availability of E587-0053, 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 E587-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0053
  • 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 E587-0053 available by request