E587-0188 Screening compound: 2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)-N-propylacetamide

E587-0188 Screening compound: 2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)-N-propylacetamide
E587-0188 Screening compound: 2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0188
2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)-N-propylacetamide

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

E587-0188

Molecular Formula

C19H25N3O2S (C19 H25 N3 O2 S)

Compound Name

2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)-N-propylacetamide

IUPAC name

2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)-N-propylacetamide

SMILES

CCCNC(CSc1cn(CC(N2CCCC2)=O)c2c1cccc2)=O

InChI

InChI=1S/C19H25N3O2S/c1-2-9-20-18(23)14-25-17-12-22(16-8-4-3-7-15(16)17)13-19(24)21-10-5-6-11-21/h3-4,7-8,12H,2,5-6,9-11,13-14H2,1H3,(H,20,23)

InChI Key

XTORCGALASFRAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.49

Polar Surface Area

43.042

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

E587-0188 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E587-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0188?
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What is the minimum amount of E587-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0188
  • 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 E587-0188 available by request