E587-0012 Screening compound: N,N-diethyl-2-[3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]acetamide

E587-0012 Screening compound: N,N-diethyl-2-[3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]acetamide
E587-0012 Screening compound: N,N-diethyl-2-[3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0012
N,N-diethyl-2-[3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]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

E587-0012

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

N,N-diethyl-2-[3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]acetamide

IUPAC name

NN-diethyl-2-[3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]acetamide

SMILES

CCN(CC)C(Cn1c(cccc2)c2c(SCC(Nc2ccc(C)cc2)=O)c1)=O

InChI

InChI=1S/C23H27N3O2S/c1-4-25(5-2)23(28)15-26-14-21(19-8-6-7-9-20(19)26)29-16-22(27)24-18-12-10-17(3)11-13-18/h6-14H,4-5,15-16H2,1-3H3,(H,24,27)

InChI Key

OVBAALILODCRCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.838

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-3.64

Polar Surface Area

40.525

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E587-0012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with E587-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0012?
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What is the minimum amount of E587-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0012
  • 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 E587-0012 available by request