8014-1997 Screening compound: 5-methyl-N-(1-phenylethyl)-2,1,3-benzothiadiazole-4-sulfonamide

8014-1997 Screening compound: 5-methyl-N-(1-phenylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
8014-1997 Screening compound: 5-methyl-N-(1-phenylethyl)-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1997
5-methyl-N-(1-phenylethyl)-2,1,3-benzothiadiazole-4-sulfonamide

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

8014-1997

Molecular Formula

C15H15N3O2S2 (C15 H15 N3 O2 S2)

Compound Name

5-methyl-N-(1-phenylethyl)-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

5-methyl-N-(1-phenylethyl)-213-benzothiadiazole-4-sulfonamide

SMILES

CC(c1ccccc1)NS(c1c(C)ccc2nsnc12)(=O)=O

InChI

InChI=1S/C15H15N3O2S2/c1-10-8-9-13-14(17-21-16-13)15(10)22(19,20)18-11(2)12-6-4-3-5-7-12/h3-9,11,18H,1-2H3/t11-/m0/s1

InChI Key

TZIAPXNNJUBIIC-NSHDSACASA-N

MDL Number (MFCD)

MFCD03768126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.68

Polar Surface Area

62.326

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8014-1997 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8014-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1997?
Check Price and Availability of 8014-1997, 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 8014-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1997
  • 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 8014-1997 available by request