K978-0758 Screening compound: N-[(4-chlorophenyl)methyl]-3-(4-methylbenzenesulfonyl)propanamide
Chemical Structure Depiction of ChemDiv screening compound K978-0758
N-[(4-chlorophenyl)methyl]-3-(4-methylbenzenesulfonyl)propanamide
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
K978-0758
Molecular Formula
C17H18ClNO3S (C17 H18 ClNO3 S)
Compound Name
N-[(4-chlorophenyl)methyl]-3-(4-methylbenzenesulfonyl)propanamide
IUPAC name
N-[(4-chlorophenyl)methyl]-3-(4-methylbenzenesulfonyl)propanamide
SMILES
Cc(cc1)ccc1S(CCC(NCc(cc1)ccc1Cl)=O)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
351.85
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.979
Distribution Coefficient, logD
2.979
Water Solubility, LogSw
-3.47
Polar Surface Area
53.475
Acid Dissociation Constant (pKa)
11.84
Base Dissociation Constant (pKb)
-4.12
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
23.50
K978-0758 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
3D-Diversity Natural-Product-Like Library (18102 compounds)
Dark Chemical Matter Library (18430 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- 3D
- Pool
References: we are preparing a list of scientific research reports with K978-0758 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)