E587-0404 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide

E587-0404 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide
E587-0404 Screening compound: 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0404
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)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

E587-0404

Molecular Formula

C26H31N3O2S (C26 H31 N3 O2 S)

Compound Name

2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide

IUPAC name

2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CSc2cn(CC(N3CCCCCC3)=O)c3c2cccc3)=O)cc(C)c1

InChI

InChI=1S/C26H31N3O2S/c1-19-13-20(2)15-21(14-19)27-25(30)18-32-24-16-29(23-10-6-5-9-22(23)24)17-26(31)28-11-7-3-4-8-12-28/h5-6,9-10,13-16H,3-4,7-8,11-12,17-18H2,1-2H3,(H,27,30)

InChI Key

LCAXDGQOFKFXBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.62

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

4.723

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-4.51

Polar Surface Area

41.572

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with E587-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0404?
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What is the minimum amount of E587-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0404
  • 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 E587-0404 available by request