5408-3431 Screening compound: N-phenyl-N-(prop-2-en-1-yl)-1,2,3-benzothiadiazole-5-carboxamide

5408-3431 Screening compound: N-phenyl-N-(prop-2-en-1-yl)-1,2,3-benzothiadiazole-5-carboxamide
5408-3431 Screening compound: N-phenyl-N-(prop-2-en-1-yl)-1,2,3-benzothiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-3431
N-phenyl-N-(prop-2-en-1-yl)-1,2,3-benzothiadiazole-5-carboxamide

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

5408-3431

Molecular Formula

C16H13N3OS (C16 H13 N3 OS)

Compound Name

N-phenyl-N-(prop-2-en-1-yl)-1,2,3-benzothiadiazole-5-carboxamide

IUPAC name

N-phenyl-N-(prop-2-en-1-yl)-123-benzothiadiazole-5-carboxamide

SMILES

C=CCN(C(c(cc1)cc2c1snn2)=O)c1ccccc1

InChI

InChI=1S/C16H13N3OS/c1-2-10-19(13-6-4-3-5-7-13)16(20)12-8-9-15-14(11-12)17-18-21-15/h2-9,11H,1,10H2

InChI Key

ZVFAPMZUPKMFKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03711756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.290

Distribution Coefficient, logD

3.290

Water Solubility, LogSw

-3.52

Polar Surface Area

37.421

Acid Dissociation Constant (pKa)

29.78

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

5408-3431 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5408-3431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-3431?
Check Price and Availability of 5408-3431, 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 5408-3431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-3431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-3431
  • 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 5408-3431 available by request