E587-0063 Screening compound: 2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

E587-0063 Screening compound: 2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
E587-0063 Screening compound: 2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0063
2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]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

E587-0063

Molecular Formula

C26H33N3O4S (C26 H33 N3 O4 S)

Compound Name

2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

CCN(CC)C(Cn1c(cccc2)c2c(SCC(NCCc(cc2)cc(OC)c2OC)=O)c1)=O

InChI

InChI=1S/C26H33N3O4S/c1-5-28(6-2)26(31)17-29-16-24(20-9-7-8-10-21(20)29)34-18-25(30)27-14-13-19-11-12-22(32-3)23(15-19)33-4/h7-12,15-16H,5-6,13-14,17-18H2,1-4H3,(H,27,30)

InChI Key

PQBFMKSEEWAVOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.388

Water Solubility, LogSw

-2.82

Polar Surface Area

56.949

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E587-0063 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E587-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0063?
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What is the minimum amount of E587-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0063
  • 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 E587-0063 available by request