4237-0378 Screening compound: ethyl 6-[(dimethylamino)methyl]-5-hydroxy-1,2-dimethyl-4-(phenylsulfonyl)-1H-indole-3-carboxylate

4237-0378 Screening compound: ethyl 6-[(dimethylamino)methyl]-5-hydroxy-1,2-dimethyl-4-(phenylsulfonyl)-1H-indole-3-carboxylate
4237-0378 Screening compound: ethyl 6-[(dimethylamino)methyl]-5-hydroxy-1,2-dimethyl-4-(phenylsulfonyl)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4237-0378
ethyl 6-[(dimethylamino)methyl]-5-hydroxy-1,2-dimethyl-4-(phenylsulfonyl)-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

4237-0378

Molecular Formula

C22H26N2O5S (C22 H26 N2 O5 S)

Compound Name

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

IUPAC name

ethyl 4-(benzenesulfonyl)-6-[(dimethylamino)methyl]-5-hydroxy-12-dimethyl-1H-indole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(cc2CN(C)C)c1c(S(c1ccccc1)(=O)=O)c2O)=O

InChI

InChI=1S/C22H26N2O5S/c1-6-29-22(26)18-14(2)24(5)17-12-15(13-23(3)4)20(25)21(19(17)18)30(27,28)16-10-8-7-9-11-16/h7-12,25H,6,13H2,1-5H3

InChI Key

ZVGUKJLDTQYEJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224050

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-2.95

Polar Surface Area

72.142

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

4237-0378 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Pool
  • Mimetics

References: we are preparing a list of scientific research reports with 4237-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4237-0378?
Check Price and Availability of 4237-0378, 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 4237-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4237-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4237-0378
  • 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 4237-0378 available by request