8011-7979 Screening compound: methyl 5-hydroxy-2-methyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]-1H-indole-3-carboxylate

8011-7979 Screening compound: methyl 5-hydroxy-2-methyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]-1H-indole-3-carboxylate
8011-7979 Screening compound: methyl 5-hydroxy-2-methyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7979
methyl 5-hydroxy-2-methyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]-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

8011-7979

Molecular Formula

C22H25NO4 (C22 H25 NO4)

Compound Name

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

IUPAC name

methyl 5-hydroxy-2-methyl-1-[2-(246-trimethylphenoxy)ethyl]-1H-indole-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(cc(cc2)O)c2n1CCOc1c(C)cc(C)cc1C

InChI

InChI=1S/C22H25NO4/c1-13-10-14(2)21(15(3)11-13)27-9-8-23-16(4)20(22(25)26-5)18-12-17(24)6-7-19(18)23/h6-7,10-12,24H,8-9H2,1-5H3

InChI Key

LDCKINYWTQWVHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02852857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-4.68

Polar Surface Area

47.799

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8011-7979 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-7979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7979?
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What is the minimum amount of 8011-7979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7979
  • 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 8011-7979 available by request