E587-0417 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide

E587-0417 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
E587-0417 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0417
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(5-chloro-2-methoxyphenyl)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

E587-0417

Molecular Formula

C25H28ClN3O3S (C25 H28 ClN3 O3 S)

Compound Name

2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide

IUPAC name

2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide

SMILES

COc(ccc(Cl)c1)c1NC(CSc1cn(CC(N2CCCCCC2)=O)c2c1cccc2)=O

InChI

InChI=1S/C25H28ClN3O3S/c1-32-22-11-10-18(26)14-20(22)27-24(30)17-33-23-15-29(21-9-5-4-8-19(21)23)16-25(31)28-12-6-2-3-7-13-28/h4-5,8-11,14-15H,2-3,6-7,12-13,16-17H2,1H3,(H,27,30)

InChI Key

HSKMXXYGTDUZOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.03

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

4.283

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.45

Polar Surface Area

48.504

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E587-0417 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E587-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0417?
Check Price and Availability of E587-0417, 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 E587-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0417
  • 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 E587-0417 available by request