E587-0481 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2-methoxyethyl)acetamide

E587-0481 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2-methoxyethyl)acetamide
E587-0481 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0481
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2-methoxyethyl)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

E587-0481

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(CSc1cn(CC(N2CCCCCC2)=O)c2c1cccc2)=O

InChI

InChI=1S/C21H29N3O3S/c1-27-13-10-22-20(25)16-28-19-14-24(18-9-5-4-8-17(18)19)15-21(26)23-11-6-2-3-7-12-23/h4-5,8-9,14H,2-3,6-7,10-13,15-16H2,1H3,(H,22,25)

InChI Key

IMWSRGUUVSNXFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-2.51

Polar Surface Area

51.349

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

E587-0481 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 E587-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0481?
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What is the minimum amount of E587-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0481
  • 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 E587-0481 available by request