C548-3189 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)pyrrolidine-2-carboxamide

C548-3189 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)pyrrolidine-2-carboxamide
C548-3189 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3189
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)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

C548-3189

Molecular Formula

C17H15BrN4O3S2 (C17 H15 BrN4 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)pyrrolidine-2-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)pyrrolidine-2-carboxamide

SMILES

O=C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C17H15BrN4O3S2/c18-11-6-8-12(9-7-11)19-17(23)14-4-2-10-22(14)27(24,25)15-5-1-3-13-16(15)21-26-20-13/h1,3,5-9,14H,2,4,10H2,(H,19,23)/t14-/m0/s1

InChI Key

SXQXOHNRDXUGSI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14769540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-3.68

Polar Surface Area

76.830

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

C548-3189 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C548-3189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3189?
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What is the minimum amount of C548-3189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3189
  • 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 C548-3189 available by request