E587-0146 Screening compound: methyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

E587-0146 Screening compound: methyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
E587-0146 Screening compound: methyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0146
methyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

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

E587-0146

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

methyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1cn(CC(N2CCCC2)=O)c2c1cccc2)=O)=O

InChI

InChI=1S/C24H25N3O4S/c1-31-24(30)17-8-10-18(11-9-17)25-22(28)16-32-21-14-27(20-7-3-2-6-19(20)21)15-23(29)26-12-4-5-13-26/h2-3,6-11,14H,4-5,12-13,15-16H2,1H3,(H,25,28)

InChI Key

PJYOKLBDRTVFIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.52

Polar Surface Area

62.781

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E587-0146 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E587-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0146?
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What is the minimum amount of E587-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0146
  • 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 E587-0146 available by request