C548-3299 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpyrrolidine-2-carboxamide

C548-3299 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpyrrolidine-2-carboxamide
C548-3299 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3299
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpyrrolidine-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

C548-3299

Molecular Formula

C22H26N4O3S2 (C22 H26 N4 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpyrrolidine-2-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-benzyl-N-butylpyrrolidine-2-carboxamide

SMILES

CCCCN(Cc1ccccc1)C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C22H26N4O3S2/c1-2-3-14-25(16-17-9-5-4-6-10-17)22(27)19-12-8-15-26(19)31(28,29)20-13-7-11-18-21(20)24-30-23-18/h4-7,9-11,13,19H,2-3,8,12,14-16H2,1H3/t19-/m0/s1

InChI Key

JEEXMERNPOVNLU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14769585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.77

Polar Surface Area

69.928

Acid Dissociation Constant (pKa)

19.67

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C548-3299 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C548-3299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3299?
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What is the minimum amount of C548-3299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3299
  • 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 C548-3299 available by request