C548-3262 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide

C548-3262 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
C548-3262 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3262
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3-fluoro-4-methylphenyl)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

C548-3262

Molecular Formula

C18H17FN4O3S2 (C18 H17 FN4 O3 S2)

Compound Name

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

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide

SMILES

Cc(ccc(NC(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)=O)c1)c1F

InChI

InChI=1S/C18H17FN4O3S2/c1-11-7-8-12(10-13(11)19)20-18(24)15-5-3-9-23(15)28(25,26)16-6-2-4-14-17(16)22-27-21-14/h2,4,6-8,10,15H,3,5,9H2,1H3,(H,20,24)/t15-/m0/s1

InChI Key

DDZOIUYNAYJOEH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14769570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

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

3.197

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.34

Polar Surface Area

76.830

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C548-3262 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 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
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C548-3262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3262?
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What is the minimum amount of C548-3262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3262
  • 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 C548-3262 available by request