C548-3184 Screening compound: 4-({2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

C548-3184 Screening compound: 4-({2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole
C548-3184 Screening compound: 4-({2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3184
4-({2-[4-(5-chloro-2-methylphenyl)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

C548-3184

Molecular Formula

C22H24ClN5O3S2 (C22 H24 ClN5 O3 S2)

Compound Name

4-({2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

IUPAC name

4-({2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-213-benzothiadiazole

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C22H24ClN5O3S2/c1-15-7-8-16(23)14-19(15)26-10-12-27(13-11-26)22(29)18-5-3-9-28(18)33(30,31)20-6-2-4-17-21(20)25-32-24-17/h2,4,6-8,14,18H,3,5,9-13H2,1H3/t18-/m0/s1

InChI Key

MEGWCFITVQSXLM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14769536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.05

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

3.803

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-4.28

Polar Surface Area

73.347

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C548-3184 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C548-3184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3184?
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What is the minimum amount of C548-3184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3184
  • 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 C548-3184 available by request