K783-4116 Screening compound: ethyl 11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of ChemDiv screening compound K783-4116
ethyl 11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
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
K783-4116
Molecular Formula
C16H13NO3S (C16 H13 NO3 S)
Compound Name
ethyl 11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
IUPAC name
ethyl 10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxylate
SMILES
CCOC(c(cc1)cc(N2)c1Sc(cccc1)c1C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
299.35
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.050
Distribution Coefficient, logD
4.049
Water Solubility, LogSw
-4.16
Polar Surface Area
45.929
Acid Dissociation Constant (pKa)
9.88
Base Dissociation Constant (pKb)
-5.18
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
12.50
K783-4116 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Antiviral Library (67538 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Epigenetic
- Receptor's ligands
- GPCR
References: we are preparing a list of scientific research reports with K783-4116 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)