K788-4559 Screening compound: 10-(3-fluorobenzyl)-11-oxo-N~8~-(tetrahydro-2-furanylmethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of ChemDiv screening compound K788-4559
10-(3-fluorobenzyl)-11-oxo-N~8~-(tetrahydro-2-furanylmethyl)-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
K788-4559
Molecular Formula
C26H23FN2O3S (C26 H23 FN2 O3 S)
Compound Name
10-(3-fluorobenzyl)-11-oxo-N~8~-(tetrahydro-2-furanylmethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
IUPAC name
9-[(3-fluorophenyl)methyl]-10-oxo-N-[(oxolan-2-yl)methyl]-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaene-6-carboxamide
SMILES
O=C(c(cc1)cc(N2Cc3cc(F)ccc3)c1Sc(cccc1)c1C2=O)NCC1OCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
462.54
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.517
Distribution Coefficient, logD
4.517
Water Solubility, LogSw
-4.45
Polar Surface Area
48.468
Acid Dissociation Constant (pKa)
13.68
Base Dissociation Constant (pKb)
-2.82
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
23.10
K788-4559 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Receptor's ligands
- PPI modulators
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- Mimetics
References: we are preparing a list of scientific research reports with K788-4559 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)