8009-2274 Screening compound: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfonyl)methyl]-1H-indole-3-carboxylate

8009-2274 Screening compound: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfonyl)methyl]-1H-indole-3-carboxylate
8009-2274 Screening compound: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfonyl)methyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2274
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfonyl)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

8009-2274

Molecular Formula

C22H25BrN2O5S (C22 H25 BrN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(c1c2CN(C)C)c(CS(c3ccccc3)(=O)=O)n(C)c1cc(Br)c2O)=O

InChI

InChI=1S/C22H25BrN2O5S/c1-5-30-22(27)20-18(13-31(28,29)14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3

InChI Key

JFYQRVBFTIWYAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00329502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-3.76

Polar Surface Area

70.916

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

8009-2274 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 Kinases Annotated Library (2415 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 8009-2274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2274?
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What is the minimum amount of 8009-2274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2274
  • 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 8009-2274 available by request