H025-0419C Screening compound: 5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound H025-0419C
5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-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
H025-0419C
Molecular Formula
C20H22ClN3O3S2 (C20 H22 ClN3 O3 S2)
Compound Name
5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
IUPAC name
5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
SMILES
Cc(c(cc(cc1)Cl)c1s1)c1S(Nc(cc1)cc(N2CCNCC2)c1OC)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
2HCl
Molecular Weight
452
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.566
Distribution Coefficient, logD
4.566
Water Solubility, LogSw
-4.60
Polar Surface Area
64.377
Acid Dissociation Constant (pKa)
7.38
Base Dissociation Constant (pKb)
8.44
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.00
H025-0419C in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-Inflammatory Library (24602 compounds)
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS Annotated Library (688 compounds)
CNS targets activity set (6557 compounds)
Human GPCR Annotated Library (5539 compounds)
KRAS-Targeted Library (16000 compounds)
Proline Kinase Library (2105 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Immune system
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Cancer
- Digestive system
- Nervous system
- Male
- Female
- Endocrine
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Kinases
- Kinases
- Proteases
- Agro
References: we are preparing a list of scientific research reports with H025-0419C 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)