C361-2352 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

C361-2352 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
C361-2352 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2352
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-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

C361-2352

Molecular Formula

C22H26N4O5S2 (C22 H26 N4 O5 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-[2-(34-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

SMILES

COc(ccc(CCNC(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C22H26N4O5S2/c1-30-18-7-6-15(14-19(18)31-2)8-11-23-22(27)16-9-12-26(13-10-16)33(28,29)20-5-3-4-17-21(20)25-32-24-17/h3-7,14,16H,8-13H2,1-2H3,(H,23,27)

InChI Key

RILWIHZZVLHXNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08287782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-2.84

Polar Surface Area

92.418

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C361-2352 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C361-2352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2352?
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What is the minimum amount of C361-2352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2352
  • 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 C361-2352 available by request