0845-0948 Screening compound: N-cyclohexyl-N-[2-(naphthalen-2-yloxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

0845-0948 Screening compound: N-cyclohexyl-N-[2-(naphthalen-2-yloxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
0845-0948 Screening compound: N-cyclohexyl-N-[2-(naphthalen-2-yloxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0845-0948
N-cyclohexyl-N-[2-(naphthalen-2-yloxy)ethyl]-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

0845-0948

Molecular Formula

C24H25N3O3S2 (C24 H25 N3 O3 S2)

Compound Name

N-cyclohexyl-N-[2-(naphthalen-2-yloxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-cyclohexyl-N-[2-(naphthalen-2-yloxy)ethyl]-213-benzothiadiazole-4-sulfonamide

SMILES

O=S(c1cccc2nsnc12)(N(CCOc1cc2ccccc2cc1)C1CCCCC1)=O

InChI

InChI=1S/C24H25N3O3S2/c28-32(29,23-12-6-11-22-24(23)26-31-25-22)27(20-9-2-1-3-10-20)15-16-30-21-14-13-18-7-4-5-8-19(18)17-21/h4-8,11-14,17,20H,1-3,9-10,15-16H2

InChI Key

SMWKXKSLEHSSLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.187

Distribution Coefficient, logD

6.187

Water Solubility, LogSw

-6.91

Polar Surface Area

59.703

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0845-0948 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0845-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0845-0948?
Check Price and Availability of 0845-0948, 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 0845-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0845-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0845-0948
  • 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 0845-0948 available by request