C113-0466 Screening compound: ethyl 4-(2,1,3-benzothiadiazole-4-sulfonamido)benzoate

C113-0466 Screening compound: ethyl 4-(2,1,3-benzothiadiazole-4-sulfonamido)benzoate
C113-0466 Screening compound: ethyl 4-(2,1,3-benzothiadiazole-4-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0466
ethyl 4-(2,1,3-benzothiadiazole-4-sulfonamido)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

C113-0466

Molecular Formula

C15H13N3O4S2 (C15 H13 N3 O4 S2)

Compound Name

ethyl 4-(2,1,3-benzothiadiazole-4-sulfonamido)benzoate

IUPAC name

ethyl 4-(213-benzothiadiazole-4-sulfonamido)benzoate

SMILES

CCOC(c(cc1)ccc1NS(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C15H13N3O4S2/c1-2-22-15(19)10-6-8-11(9-7-10)18-24(20,21)13-5-3-4-12-14(13)17-23-16-12/h3-9,18H,2H2,1H3

InChI Key

HLJXDBHZGPKDEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05116241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

2.972

Water Solubility, LogSw

-3.54

Polar Surface Area

82.594

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C113-0466 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C113-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0466?
Check Price and Availability of C113-0466, 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 C113-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0466
  • 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 C113-0466 available by request