C548-3373 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide

C548-3373 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
C548-3373 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3373
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-phenylpiperazin-1-yl)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

C548-3373

Molecular Formula

C23H28N6O3S2 (C23 H28 N6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)NCCN(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H28N6O3S2/c30-23(24-11-13-27-14-16-28(17-15-27)18-6-2-1-3-7-18)20-9-5-12-29(20)34(31,32)21-10-4-8-19-22(21)26-33-25-19/h1-4,6-8,10,20H,5,9,11-17H2,(H,24,30)/t20-/m0/s1

InChI Key

HJXQDUIFMFOKNL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14769605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.191

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-2.50

Polar Surface Area

85.237

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

C548-3373 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)

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C548-3373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3373?
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What is the minimum amount of C548-3373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3373
  • 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 C548-3373 available by request