C548-3294 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide

C548-3294 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
C548-3294 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3294
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-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

C548-3294

Molecular Formula

C19H21N5O5S3 (C19 H21 N5 O5 S3)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide

SMILES

NS(c1ccc(CCNC(C(CCC2)N2S(c2cccc3nsnc23)(=O)=O)=O)cc1)(=O)=O

InChI

InChI=1S/C19H21N5O5S3/c20-31(26,27)14-8-6-13(7-9-14)10-11-21-19(25)16-4-2-12-24(16)32(28,29)17-5-1-3-15-18(17)23-30-22-15/h1,3,5-9,16H,2,4,10-12H2,(H,21,25)(H2,20,26,27)/t16-/m0/s1

InChI Key

CKRNBVBVPXSZRA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14769582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.682

Distribution Coefficient, logD

0.682

Water Solubility, LogSw

-2.19

Polar Surface Area

128.597

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C548-3294 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C548-3294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3294?
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What is the minimum amount of C548-3294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3294
  • 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 C548-3294 available by request