E709-0139 Screening compound: 2-(3,4-DIMETHOXYPHENYL)-1-(4-FLUOROBENZENESULFONYL)INDOLIZINE

E709-0139 Screening compound: 2-(3,4-DIMETHOXYPHENYL)-1-(4-FLUOROBENZENESULFONYL)INDOLIZINE
E709-0139 Screening compound: 2-(3,4-DIMETHOXYPHENYL)-1-(4-FLUOROBENZENESULFONYL)INDOLIZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound E709-0139
2-(3,4-DIMETHOXYPHENYL)-1-(4-FLUOROBENZENESULFONYL)INDOLIZINE

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

E709-0139

Molecular Formula

C22H18FNO4S (C22 H18 FNO4 S)

Compound Name

2-(3,4-DIMETHOXYPHENYL)-1-(4-FLUOROBENZENESULFONYL)INDOLIZINE

IUPAC name

n/a

SMILES

COc(ccc(-c1cn(cccc2)c2c1S(c(cc1)ccc1F)(=O)=O)c1)c1OC

InChI

InChI=1S/C22H18FNO4S/c1-27-20-11-6-15(13-21(20)28-2)18-14-24-12-4-3-5-19(24)22(18)29(25,26)17-9-7-16(23)8-10-17/h3-14H,1-2H3

InChI Key

GFNYPWJZOHVOAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-4.04

Polar Surface Area

45.467

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

E709-0139 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E709-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E709-0139?
Check Price and Availability of E709-0139, 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 E709-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E709-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E709-0139
  • 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 E709-0139 available by request