E587-0537 Screening compound: N-(4-acetamidophenyl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide

E587-0537 Screening compound: N-(4-acetamidophenyl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide
E587-0537 Screening compound: N-(4-acetamidophenyl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0537
N-(4-acetamidophenyl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-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

E587-0537

Molecular Formula

C26H30N4O3S (C26 H30 N4 O3 S)

Compound Name

N-(4-acetamidophenyl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(4-acetamidophenyl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide

SMILES

CC(CC1)CCN1C(Cn1c(cccc2)c2c(SCC(Nc(cc2)ccc2NC(C)=O)=O)c1)=O

InChI

InChI=1S/C26H30N4O3S/c1-18-11-13-29(14-12-18)26(33)16-30-15-24(22-5-3-4-6-23(22)30)34-17-25(32)28-21-9-7-20(8-10-21)27-19(2)31/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,27,31)(H,28,32)

InChI Key

RRFSMSJABURWQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.10

Polar Surface Area

64.503

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E587-0537 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E587-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0537?
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What is the minimum amount of E587-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0537
  • 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 E587-0537 available by request