K978-0784 Screening compound: 3-(4-bromobenzenesulfonyl)-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of ChemDiv screening compound K978-0784
3-(4-bromobenzenesulfonyl)-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
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
K978-0784
Molecular Formula
C19H20BrClN2O3S (C19 H20 BrClN2 O3 S)
Compound Name
3-(4-bromobenzenesulfonyl)-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
IUPAC name
3-(4-bromobenzenesulfonyl)-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
SMILES
O=C(CCS(c(cc1)ccc1Br)(=O)=O)N(CC1)CCN1c(cccc1)c1Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
471.8
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.587
Distribution Coefficient, logD
3.587
Water Solubility, LogSw
-3.65
Polar Surface Area
48.355
Acid Dissociation Constant (pKa)
21.15
Base Dissociation Constant (pKb)
4.55
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.60
K978-0784 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Inflammatory Library (24602 compounds)
CNS targets activity set (6557 compounds)
Human Ion Channels Annotated Library (353 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Immune system
References: we are preparing a list of scientific research reports with K978-0784 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)