C548-3185 Screening compound: 2-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

C548-3185 Screening compound: 2-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
C548-3185 Screening compound: 2-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3185
2-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

C548-3185

Molecular Formula

C20H20N4O3S2 (C20 H20 N4 O3 S2)

Compound Name

2-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[1-(213-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)N(CC1)Cc2c1cccc2

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.04

Polar Surface Area

70.049

Acid Dissociation Constant (pKa)

19.41

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C548-3185 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)

Anti-HIV1 Library (19540 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
  • 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 C548-3185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3185?
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What is the minimum amount of C548-3185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3185
  • 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 C548-3185 available by request