E587-0028 Screening compound: 2-[3-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]-N,N-diethylacetamide

E587-0028 Screening compound: 2-[3-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]-N,N-diethylacetamide
E587-0028 Screening compound: 2-[3-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0028
2-[3-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]-N,N-diethylacetamide

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

E587-0028

Molecular Formula

C23H26ClN3O2S (C23 H26 ClN3 O2 S)

Compound Name

2-[3-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]-N,N-diethylacetamide

IUPAC name

2-[3-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]-NN-diethylacetamide

SMILES

CCN(CC)C(Cn1c(cccc2)c2c(SCC(Nc2cc(Cl)c(C)cc2)=O)c1)=O

InChI

InChI=1S/C23H26ClN3O2S/c1-4-26(5-2)23(29)14-27-13-21(18-8-6-7-9-20(18)27)30-15-22(28)25-17-11-10-16(3)19(24)12-17/h6-13H,4-5,14-15H2,1-3H3,(H,25,28)

InChI Key

JOYWRCXYDAYUIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.87

Polar Surface Area

40.525

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with E587-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0028?
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What is the minimum amount of E587-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0028
  • 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 E587-0028 available by request