4237-0413 Screening compound: 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid

4237-0413 Screening compound: 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid
4237-0413 Screening compound: 2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4237-0413
2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid

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

4237-0413

Molecular Formula

C18H17NO2S (C18 H17 NO2 S)

Compound Name

2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid

IUPAC name

2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid

SMILES

CSc1c(CC(O)=O)n(Cc2ccccc2)c2c1cccc2

InChI

InChI=1S/C18H17NO2S/c1-22-18-14-9-5-6-10-15(14)19(16(18)11-17(20)21)12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)

InChI Key

ZNRFHFNEYSLUQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01206949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

-0.161

Water Solubility, LogSw

-3.87

Polar Surface Area

29.333

Acid Dissociation Constant (pKa)

3.41

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4237-0413 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors
  • Others

References: we are preparing a list of scientific research reports with 4237-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4237-0413?
Check Price and Availability of 4237-0413, 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 4237-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4237-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4237-0413
  • 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 4237-0413 available by request