E629-1839 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

E629-1839 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
E629-1839 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E629-1839
2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]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

E629-1839

Molecular Formula

C22H19ClN2OS2 (C22 H19 ClN2 OS2)

Compound Name

2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

IUPAC name

2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

SMILES

CSc1ccc(CNC(Cn(c(-c2cccs2)c2)c(cc3)c2cc3Cl)=O)cc1

InChI

InChI=1S/C22H19ClN2OS2/c1-27-18-7-4-15(5-8-18)13-24-22(26)14-25-19-9-6-17(23)11-16(19)12-20(25)21-3-2-10-28-21/h2-12H,13-14H2,1H3,(H,24,26)

InChI Key

IJQBCNXFEGQDDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.282

Distribution Coefficient, logD

6.282

Water Solubility, LogSw

-6.17

Polar Surface Area

25.911

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E629-1839 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E629-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E629-1839?
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What is the minimum amount of E629-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E629-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E629-1839
  • 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 E629-1839 available by request