E587-0740 Screening compound: 2-[(1-{[bis(propan-2-yl)carbamoyl]methyl}-1H-indol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide

E587-0740 Screening compound: 2-[(1-{[bis(propan-2-yl)carbamoyl]methyl}-1H-indol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide
E587-0740 Screening compound: 2-[(1-{[bis(propan-2-yl)carbamoyl]methyl}-1H-indol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0740
2-[(1-{[bis(propan-2-yl)carbamoyl]methyl}-1H-indol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]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

E587-0740

Molecular Formula

C23H33N3O3S (C23 H33 N3 O3 S)

Compound Name

2-[(1-{[bis(propan-2-yl)carbamoyl]methyl}-1H-indol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-[(1-{[bis(propan-2-yl)carbamoyl]methyl}-1H-indol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CC(C)N(C(C)C)C(Cn1c(cccc2)c2c(SCC(NCC2OCCC2)=O)c1)=O

InChI

InChI=1S/C23H33N3O3S/c1-16(2)26(17(3)4)23(28)14-25-13-21(19-9-5-6-10-20(19)25)30-15-22(27)24-12-18-8-7-11-29-18/h5-6,9-10,13,16-18H,7-8,11-12,14-15H2,1-4H3,(H,24,27)/t18-/m1/s1

InChI Key

IEDSIRWAACULNF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05964994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

2.251

Water Solubility, LogSw

-2.48

Polar Surface Area

50.647

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

E587-0740 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with E587-0740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0740?
Check Price and Availability of E587-0740, 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 E587-0740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0740
  • 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 E587-0740 available by request