E587-0330 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide

E587-0330 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide
E587-0330 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0330
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-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

E587-0330

Molecular Formula

C24H25N3O5S (C24 H25 N3 O5 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide

SMILES

O=C(CSc1cn(CC(N2CCOCC2)=O)c2c1cccc2)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C24H25N3O5S/c28-23(25-17-5-6-20-21(13-17)32-12-11-31-20)16-33-22-14-27(19-4-2-1-3-18(19)22)15-24(29)26-7-9-30-10-8-26/h1-6,13-14H,7-12,15-16H2,(H,25,28)

InChI Key

JBIBWWHXVAUSAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.348

Distribution Coefficient, logD

1.348

Water Solubility, LogSw

-2.50

Polar Surface Area

64.973

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E587-0330 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E587-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0330?
Check Price and Availability of E587-0330, 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 E587-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0330
  • 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 E587-0330 available by request