4546-0073 Screening compound: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylsulfanyl)methyl]-1H-indole-3-carboxylate

4546-0073 Screening compound: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylsulfanyl)methyl]-1H-indole-3-carboxylate
4546-0073 Screening compound: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylsulfanyl)methyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4546-0073
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylsulfanyl)methyl]-1H-indole-3-carboxylate

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

4546-0073

Molecular Formula

C20H23BrN2O3S2 (C20 H23 BrN2 O3 S2)

Compound Name

ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylsulfanyl)methyl]-1H-indole-3-carboxylate

IUPAC name

ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylsulfanyl)methyl]-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2CN(C)C)c(CSc3cccs3)n(C)c1cc(Br)c2O)=O

InChI

InChI=1S/C20H23BrN2O3S2/c1-5-26-20(25)18-15(11-28-16-7-6-8-27-16)23(4)14-9-13(21)19(24)12(17(14)18)10-22(2)3/h6-9,24H,5,10-11H2,1-4H3

InChI Key

NZDNHRDPEYHJMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01880117

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

483.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.403

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-4.57

Polar Surface Area

42.898

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4546-0073 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4546-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4546-0073?
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What is the minimum amount of 4546-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4546-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4546-0073
  • 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 4546-0073 available by request