E587-0369 Screening compound: 2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(morpholin-4-yl)ethan-1-one

E587-0369 Screening compound: 2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(morpholin-4-yl)ethan-1-one
E587-0369 Screening compound: 2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0369
2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(morpholin-4-yl)ethan-1-one

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

E587-0369

Molecular Formula

C21H21ClN2O2S (C21 H21 ClN2 O2 S)

Compound Name

2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(morpholin-4-yl)ethan-1-one

SMILES

O=C(Cn1c(cccc2)c2c(SCc(cccc2)c2Cl)c1)N1CCOCC1

InChI

InChI=1S/C21H21ClN2O2S/c22-18-7-3-1-5-16(18)15-27-20-13-24(19-8-4-2-6-17(19)20)14-21(25)23-9-11-26-12-10-23/h1-8,13H,9-12,14-15H2

InChI Key

NCODIKWUMBCUGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-3.77

Polar Surface Area

26.000

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E587-0369 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 E587-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0369?
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What is the minimum amount of E587-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0369
  • 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 E587-0369 available by request