E587-0127 Screening compound: N-(2-methoxyphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

E587-0127 Screening compound: N-(2-methoxyphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide
E587-0127 Screening compound: N-(2-methoxyphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0127
N-(2-methoxyphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

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

E587-0127

Molecular Formula

C23H25N3O3S (C23 H25 N3 O3 S)

Compound Name

N-(2-methoxyphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(2-methoxyphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

SMILES

COc(cccc1)c1NC(CSc1cn(CC(N2CCCC2)=O)c2c1cccc2)=O

InChI

InChI=1S/C23H25N3O3S/c1-29-20-11-5-3-9-18(20)24-22(27)16-30-21-14-26(19-10-4-2-8-17(19)21)15-23(28)25-12-6-7-13-25/h2-5,8-11,14H,6-7,12-13,15-16H2,1H3,(H,24,27)

InChI Key

WGHAQDFJBYYZFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.28

Polar Surface Area

48.539

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E587-0127 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 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
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E587-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0127?
Check Price and Availability of E587-0127, 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 E587-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0127
  • 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 E587-0127 available by request