6574-0146 Screening compound: N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-(quinolin-2-ylsulfanyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound 6574-0146
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-(quinolin-2-ylsulfanyl)acetamide
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
6574-0146
Molecular Formula
C19H13ClN4OS2 (C19 H13 ClN4 OS2)
Compound Name
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-(quinolin-2-ylsulfanyl)acetamide
IUPAC name
N-[5-(4-chlorophenyl)-124-thiadiazol-3-yl]-2-(quinolin-2-ylsulfanyl)acetamide
SMILES
O=C(CSc1nc2ccccc2cc1)Nc1nsc(-c(cc2)ccc2Cl)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
412.92
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.403
Distribution Coefficient, logD
5.403
Water Solubility, LogSw
-6.37
Polar Surface Area
52.489
Acid Dissociation Constant (pKa)
11.45
Base Dissociation Constant (pKb)
1.27
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.30
6574-0146 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Phosphatases Annotated Library (206 compounds)
Human Receptors Annotated Library (5376 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
New Agro Library (44492 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Agro
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with 6574-0146 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)