5408-0515 Screening compound: Benzo[1,2,5]thiadiazole-5-carboxylic acid 4-chloro-phenyl ester

5408-0515 Screening compound: Benzo[1,2,5]thiadiazole-5-carboxylic acid 4-chloro-phenyl ester
5408-0515 Screening compound: Benzo[1,2,5]thiadiazole-5-carboxylic acid 4-chloro-phenyl ester alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0515
Benzo[1,2,5]thiadiazole-5-carboxylic acid 4-chloro-phenyl ester

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

5408-0515

Molecular Formula

C13H7ClN2O2S (C13 H7 ClN2 O2 S)

Compound Name

Benzo[1,2,5]thiadiazole-5-carboxylic acid 4-chloro-phenyl ester

IUPAC name

4-chlorophenyl 213-benzothiadiazole-5-carboxylate

SMILES

O=C(c1cc2nsnc2cc1)Oc(cc1)ccc1Cl

InChI

InChI=1S/C13H7ClN2O2S/c14-9-2-4-10(5-3-9)18-13(17)8-1-6-11-12(7-8)16-19-15-11/h1-7H

InChI Key

ZCKDYPGHJDWSJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02211097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

3.950

Water Solubility, LogSw

-4.59

Polar Surface Area

40.798

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5408-0515 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5408-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0515?
Check Price and Availability of 5408-0515, 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 5408-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0515
  • 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 5408-0515 available by request