E587-0145 Screening compound: ethyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

E587-0145 Screening compound: ethyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
E587-0145 Screening compound: ethyl 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 E587-0145
ethyl 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

E587-0145

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-2-32-25(31)18-9-11-19(12-10-18)26-23(29)17-33-22-15-28(21-8-4-3-7-20(21)22)16-24(30)27-13-5-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16-17H2,1H3,(H,26,29)

InChI Key

FSRRAFCZIOWRPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.916

Distribution Coefficient, logD

3.916

Water Solubility, LogSw

-3.69

Polar Surface Area

62.360

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E587-0145 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 E587-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0145?
Check Price and Availability of E587-0145, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E587-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0145
  • 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 E587-0145 available by request