C548-3372 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)-N-methylpyrrolidine-2-carboxamide

C548-3372 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)-N-methylpyrrolidine-2-carboxamide
C548-3372 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)-N-methylpyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3372
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)-N-methylpyrrolidine-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

C548-3372

Molecular Formula

C18H17BrN4O3S2 (C18 H17 BrN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C18H17BrN4O3S2/c1-22(13-9-7-12(19)8-10-13)18(24)15-5-3-11-23(15)28(25,26)16-6-2-4-14-17(16)21-27-20-14/h2,4,6-10,15H,3,5,11H2,1H3/t15-/m0/s1

InChI Key

ARWAITXIRBMCOG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14769604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.012

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.29

Polar Surface Area

69.108

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C548-3372 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C548-3372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3372?
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What is the minimum amount of C548-3372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3372
  • 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 C548-3372 available by request