6875-1681 Screening compound: 5-methyl-N-(quinolin-8-yl)-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound 6875-1681
5-methyl-N-(quinolin-8-yl)-2,1,3-benzothiadiazole-4-sulfonamide
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
6875-1681
Molecular Formula
C16H12N4O2S2 (C16 H12 N4 O2 S2)
Compound Name
5-methyl-N-(quinolin-8-yl)-2,1,3-benzothiadiazole-4-sulfonamide
IUPAC name
5-methyl-N-(quinolin-8-yl)-213-benzothiadiazole-4-sulfonamide
SMILES
Cc(ccc1nsnc11)c1S(Nc1cccc2cccnc12)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
356.43
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.566
Distribution Coefficient, logD
3.207
Water Solubility, LogSw
-3.46
Polar Surface Area
70.676
Acid Dissociation Constant (pKa)
7.29
Base Dissociation Constant (pKb)
5.10
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.30
6875-1681 in Drug Discovery
Included in Screening Libraries
Antifungal Library (16415 compounds)
Antiparasite Library (23996 compounds)
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Glucocorticoid receptors Library (4806 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Infections
- Immune system
- animal
- Cancer
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Endocrine
- Agro
- Agro
- Agro
- Nuclear receptors
- Receptor's ligands
References: we are preparing a list of scientific research reports with 6875-1681 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)