E690-0236 Screening compound: ethyl 4-(2-{3-[(2-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate

E690-0236 Screening compound: ethyl 4-(2-{3-[(2-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate
E690-0236 Screening compound: ethyl 4-(2-{3-[(2-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E690-0236
ethyl 4-(2-{3-[(2-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate

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

E690-0236

Molecular Formula

C26H23FN2O5S (C26 H23 FN2 O5 S)

Compound Name

ethyl 4-(2-{3-[(2-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{3-[(2-fluorophenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn1c(cccc2)c2c(S(Cc(cccc2)c2F)(=O)=O)c1)=O)=O

InChI

InChI=1S/C26H23FN2O5S/c1-2-34-26(31)18-11-13-20(14-12-18)28-25(30)16-29-15-24(21-8-4-6-10-23(21)29)35(32,33)17-19-7-3-5-9-22(19)27/h3-15H,2,16-17H2,1H3,(H,28,30)

InChI Key

CCUZRFCFDQRJLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06706920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

5.041

Water Solubility, LogSw

-4.65

Polar Surface Area

74.638

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E690-0236 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E690-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E690-0236?
Check Price and Availability of E690-0236, 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 E690-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E690-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E690-0236
  • 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 E690-0236 available by request