C548-3112 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(6-methylpyridin-2-yl)pyrrolidine-2-carboxamide

C548-3112 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(6-methylpyridin-2-yl)pyrrolidine-2-carboxamide
C548-3112 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(6-methylpyridin-2-yl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3112
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(6-methylpyridin-2-yl)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

C548-3112

Molecular Formula

C17H17N5O3S2 (C17 H17 N5 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(6-methylpyridin-2-yl)pyrrolidine-2-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-(6-methylpyridin-2-yl)pyrrolidine-2-carboxamide

SMILES

Cc1cccc(NC(C(CCC2)N2S(c2cccc3nsnc23)(=O)=O)=O)n1

InChI

InChI=1S/C17H17N5O3S2/c1-11-5-2-9-15(18-11)19-17(23)13-7-4-10-22(13)27(24,25)14-8-3-6-12-16(14)21-26-20-12/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,18,19,23)/t13-/m0/s1

InChI Key

SXNIXRVQALLBKW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14769500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.373

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-2.74

Polar Surface Area

85.819

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

C548-3112 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C548-3112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3112?
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What is the minimum amount of C548-3112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3112
  • 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 C548-3112 available by request