C548-3252 Screening compound: 4-({2-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

C548-3252 Screening compound: 4-({2-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole
C548-3252 Screening compound: 4-({2-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3252
4-({2-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

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

C548-3252

Molecular Formula

C21H22FN5O3S2 (C21 H22 FN5 O3 S2)

Compound Name

4-({2-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

IUPAC name

4-({2-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-213-benzothiadiazole

SMILES

O=C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C21H22FN5O3S2/c22-15-6-8-16(9-7-15)25-11-13-26(14-12-25)21(28)18-4-2-10-27(18)32(29,30)19-5-1-3-17-20(19)24-31-23-17/h1,3,5-9,18H,2,4,10-14H2/t18-/m0/s1

InChI Key

YENCFHMZWVESLE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14769565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.671

Water Solubility, LogSw

-2.85

Polar Surface Area

73.648

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

C548-3252 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Nervous system
  • Digestive system
  • Nervous system
Targets:
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C548-3252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3252?
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What is the minimum amount of C548-3252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3252
  • 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 C548-3252 available by request