C548-3228 Screening compound: 4-{[2-(4-benzylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

C548-3228 Screening compound: 4-{[2-(4-benzylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
C548-3228 Screening compound: 4-{[2-(4-benzylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3228
4-{[2-(4-benzylpiperidine-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

C548-3228

Molecular Formula

C23H26N4O3S2 (C23 H26 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C23H26N4O3S2/c28-23(26-14-11-18(12-15-26)16-17-6-2-1-3-7-17)20-9-5-13-27(20)32(29,30)21-10-4-8-19-22(21)25-31-24-19/h1-4,6-8,10,18,20H,5,9,11-16H2/t20-/m0/s1

InChI Key

RSZHNVUPOWMOLD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14769557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-4.13

Polar Surface Area

70.116

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

C548-3228 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C548-3228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3228?
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What is the minimum amount of C548-3228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3228
  • 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 C548-3228 available by request