8020-4389 Screening compound: 5-methoxy-1H-indol-1-yl phenyl sulfone

8020-4389 Screening compound: 5-methoxy-1H-indol-1-yl phenyl sulfone
8020-4389 Screening compound: 5-methoxy-1H-indol-1-yl phenyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4389
5-methoxy-1H-indol-1-yl phenyl sulfone

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

8020-4389

Molecular Formula

C15H13NO3S (C15 H13 NO3 S)

Compound Name

5-methoxy-1H-indol-1-yl phenyl sulfone

IUPAC name

1-(benzenesulfonyl)-5-methoxy-1H-indole

SMILES

COc(cc1)cc(cc2)c1n2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C15H13NO3S/c1-19-13-7-8-15-12(11-13)9-10-16(15)20(17,18)14-5-3-2-4-6-14/h2-11H,1H3

InChI Key

LAGWFKSQVPRITG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08073380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.38

Polar Surface Area

36.882

Acid Dissociation Constant (pKa)

33.35

Base Dissociation Constant (pKb)

-14.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

8020-4389 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8020-4389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4389?
Check Price and Availability of 8020-4389, 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 8020-4389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4389
  • 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 8020-4389 available by request