8011-1306 Screening compound: 2-(phenylformamido)ethyl 2,4-dichloro-5-sulfamoylbenzoate

8011-1306 Screening compound: 2-(phenylformamido)ethyl 2,4-dichloro-5-sulfamoylbenzoate
8011-1306 Screening compound: 2-(phenylformamido)ethyl 2,4-dichloro-5-sulfamoylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1306
2-(phenylformamido)ethyl 2,4-dichloro-5-sulfamoylbenzoate

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

8011-1306

Molecular Formula

C16H14Cl2N2O5S (C16 H14 Cl2 N2 O5 S)

Compound Name

2-(phenylformamido)ethyl 2,4-dichloro-5-sulfamoylbenzoate

IUPAC name

2-(phenylformamido)ethyl 24-dichloro-5-sulfamoylbenzoate

SMILES

NS(c(cc(C(OCCNC(c1ccccc1)=O)=O)c(Cl)c1)c1Cl)(=O)=O

InChI

InChI=1S/C16H14Cl2N2O5S/c17-12-9-13(18)14(26(19,23)24)8-11(12)16(22)25-7-6-20-15(21)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,20,21)(H2,19,23,24)

InChI Key

YURRUMFCDGTGRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.742

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-3.81

Polar Surface Area

96.144

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8011-1306 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 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
  • Pool

References: we are preparing a list of scientific research reports with 8011-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1306?
Check Price and Availability of 8011-1306, 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 8011-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1306
  • 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 8011-1306 available by request