K788-1623 Screening compound: 10-allyl-N~8~-(2-methylcyclohexyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of ChemDiv screening compound K788-1623
10-allyl-N~8~-(2-methylcyclohexyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
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
K788-1623
Molecular Formula
C24H26N2O2S (C24 H26 N2 O2 S)
Compound Name
10-allyl-N~8~-(2-methylcyclohexyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
IUPAC name
N-(2-methylcyclohexyl)-10-oxo-9-(prop-2-en-1-yl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide
SMILES
CC(CCCC1)C1NC(c(cc1)cc(N2CC=C)c1Sc(cccc1)c1C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
406.55
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
5.379
Distribution Coefficient, logD
5.379
Water Solubility, LogSw
-5.25
Polar Surface Area
40.179
Acid Dissociation Constant (pKa)
15.36
Base Dissociation Constant (pKb)
-1.25
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
33.30
K788-1623 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiviral Library (67538 compounds)
Protein-Protein Interaction Library (218420 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cancer
- Female
- Congenital
- Skin
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Kinases
- GPCR
- PPI modulators
- Receptor's ligands
- PPI modulators
References: we are preparing a list of scientific research reports with K788-1623 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)