E587-0109 Screening compound: N-(4-methylphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

E587-0109 Screening compound: N-(4-methylphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide
E587-0109 Screening compound: N-(4-methylphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0109
N-(4-methylphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

E587-0109

Molecular Formula

C23H25N3O2S (C23 H25 N3 O2 S)

Compound Name

N-(4-methylphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(4-methylphenyl)-2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

SMILES

Cc(cc1)ccc1NC(CSc1cn(CC(N2CCCC2)=O)c2c1cccc2)=O

InChI

InChI=1S/C23H25N3O2S/c1-17-8-10-18(11-9-17)24-22(27)16-29-21-14-26(20-7-3-2-6-19(20)21)15-23(28)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13,15-16H2,1H3,(H,24,27)

InChI Key

MQDMKQRAMLECCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-3.73

Polar Surface Area

41.607

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with E587-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0109?
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What is the minimum amount of E587-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0109
  • 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 E587-0109 available by request