E587-0090 Screening compound: 2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-methylacetamide

E587-0090 Screening compound: 2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-methylacetamide
E587-0090 Screening compound: 2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0090
2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-methylacetamide

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

E587-0090

Molecular Formula

C17H23N3O2S (C17 H23 N3 O2 S)

Compound Name

2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-methylacetamide

IUPAC name

2-({1-[(diethylcarbamoyl)methyl]-1H-indol-3-yl}sulfanyl)-N-methylacetamide

SMILES

CCN(CC)C(Cn1c(cccc2)c2c(SCC(NC)=O)c1)=O

InChI

InChI=1S/C17H23N3O2S/c1-4-19(5-2)17(22)11-20-10-15(23-12-16(21)18-3)13-8-6-7-9-14(13)20/h6-10H,4-5,11-12H2,1-3H3,(H,18,21)

InChI Key

RQOQEXRASXBBMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.315

Distribution Coefficient, logD

1.315

Water Solubility, LogSw

-2.32

Polar Surface Area

42.269

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

E587-0090 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E587-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0090?
Check Price and Availability of E587-0090, 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 E587-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0090
  • 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 E587-0090 available by request