C548-3182 Screening compound: 4-({2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

C548-3182 Screening compound: 4-({2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole
C548-3182 Screening compound: 4-({2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3182
4-({2-[4-(2,3-dimethylphenyl)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

C548-3182

Molecular Formula

C23H27N5O3S2 (C23 H27 N5 O3 S2)

Compound Name

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

IUPAC name

4-({2-[4-(23-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-213-benzothiadiazole

SMILES

Cc1cccc(N(CC2)CCN2C(C(CCC2)N2S(c2cccc3nsnc23)(=O)=O)=O)c1C

InChI

InChI=1S/C23H27N5O3S2/c1-16-6-3-8-19(17(16)2)26-12-14-27(15-13-26)23(29)20-9-5-11-28(20)33(30,31)21-10-4-7-18-22(21)25-32-24-18/h3-4,6-8,10,20H,5,9,11-15H2,1-2H3/t20-/m0/s1

InChI Key

MLQJDEQYIRFMCP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14769534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

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

3.644

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-3.88

Polar Surface Area

73.347

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

C548-3182 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C548-3182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3182?
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What is the minimum amount of C548-3182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3182
  • 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 C548-3182 available by request