E587-0357 Screening compound: 4-[2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzamide

E587-0357 Screening compound: 4-[2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzamide
E587-0357 Screening compound: 4-[2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0357
4-[2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzamide

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

E587-0357

Molecular Formula

C23H24N4O4S (C23 H24 N4 O4 S)

Compound Name

4-[2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzamide

IUPAC name

4-[2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzamide

SMILES

NC(c(cc1)ccc1NC(CSc1cn(CC(N2CCOCC2)=O)c2c1cccc2)=O)=O

InChI

InChI=1S/C23H24N4O4S/c24-23(30)16-5-7-17(8-6-16)25-21(28)15-32-20-13-27(19-4-2-1-3-18(19)20)14-22(29)26-9-11-31-12-10-26/h1-8,13H,9-12,14-15H2,(H2,24,30)(H,25,28)

InChI Key

PVYGRBFAFBGPFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.021

Distribution Coefficient, logD

1.021

Water Solubility, LogSw

-2.29

Polar Surface Area

83.208

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E587-0357 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PI3K-Targeted Library (17255 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E587-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0357?
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What is the minimum amount of E587-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0357
  • 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 E587-0357 available by request