C548-3173 Screening compound: 4-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

C548-3173 Screening compound: 4-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
C548-3173 Screening compound: 4-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3173
4-{[2-(4-phenylpiperazine-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

C548-3173

Molecular Formula

C21H23N5O3S2 (C21 H23 N5 O3 S2)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C21H23N5O3S2/c27-21(25-14-12-24(13-15-25)16-6-2-1-3-7-16)18-9-5-11-26(18)31(28,29)19-10-4-8-17-20(19)23-30-22-17/h1-4,6-8,10,18H,5,9,11-15H2/t18-/m0/s1

InChI Key

DFUZLPNALOFQAH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14769529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.58

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

2.521

Distribution Coefficient, logD

2.521

Water Solubility, LogSw

-2.50

Polar Surface Area

73.648

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

C548-3173 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C548-3173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3173?
Check Price and Availability of C548-3173, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C548-3173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3173
  • 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 C548-3173 available by request