K786-5952 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
Chemical Structure Depiction of ChemDiv screening compound K786-5952
N-{2-[benzyl(methyl)amino]ethyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]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
K786-5952
Molecular Formula
C24H30N4O5S2 (C24 H30 N4 O5 S2)
Compound Name
N-{2-[benzyl(methyl)amino]ethyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
IUPAC name
N-{2-[benzyl(methyl)amino]ethyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide
SMILES
CN(CCNC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)=O)Cc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
518.66
Hydrogen Bond Acceptors Count
12.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.332
Distribution Coefficient, logD
0.838
Water Solubility, LogSw
-2.54
Polar Surface Area
83.645
Acid Dissociation Constant (pKa)
13.79
Base Dissociation Constant (pKb)
7.73
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.70
K786-5952 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with K786-5952 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)