E587-0516 Screening compound: N-(3-methoxyphenyl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide

E587-0516 Screening compound: N-(3-methoxyphenyl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide
E587-0516 Screening compound: N-(3-methoxyphenyl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0516
N-(3-methoxyphenyl)-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

E587-0516

Molecular Formula

C25H29N3O3S (C25 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(Cn1c(cccc2)c2c(SCC(Nc2cc(OC)ccc2)=O)c1)=O

InChI

InChI=1S/C25H29N3O3S/c1-18-10-12-27(13-11-18)25(30)16-28-15-23(21-8-3-4-9-22(21)28)32-17-24(29)26-19-6-5-7-20(14-19)31-2/h3-9,14-15,18H,10-13,16-17H2,1-2H3,(H,26,29)

InChI Key

KEKZDZYKZMDTGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.931

Distribution Coefficient, logD

3.931

Water Solubility, LogSw

-3.96

Polar Surface Area

48.785

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E587-0516 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E587-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0516?
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What is the minimum amount of E587-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0516
  • 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 E587-0516 available by request