E709-0006 Screening compound: 1-(4-methoxybenzenesulfonyl)-2-phenylindolizine

E709-0006 Screening compound: 1-(4-methoxybenzenesulfonyl)-2-phenylindolizine
E709-0006 Screening compound: 1-(4-methoxybenzenesulfonyl)-2-phenylindolizine alternative view

Chemical Structure Depiction of ChemDiv screening compound E709-0006
1-(4-methoxybenzenesulfonyl)-2-phenylindolizine

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

E709-0006

Molecular Formula

C21H17NO3S (C21 H17 NO3 S)

Compound Name

1-(4-methoxybenzenesulfonyl)-2-phenylindolizine

IUPAC name

1-(4-methoxybenzenesulfonyl)-2-phenylindolizine

SMILES

COc(cc1)ccc1S(c(c(-c1ccccc1)c1)c2n1cccc2)(=O)=O

InChI

InChI=1S/C21H17NO3S/c1-25-17-10-12-18(13-11-17)26(23,24)21-19(16-7-3-2-4-8-16)15-22-14-6-5-9-20(21)22/h2-15H,1H3

InChI Key

IHJIFSBBBWRUNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.204

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.36

Polar Surface Area

37.750

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

E709-0006 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E709-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E709-0006?
Check Price and Availability of E709-0006, 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 E709-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E709-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E709-0006
  • 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 E709-0006 available by request