P618-0485 Screening compound: N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(2-fluorophenyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound P618-0485
N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(2-fluorophenyl)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
P618-0485
Molecular Formula
C23H20FN3O2S (C23 H20 FN3 O2 S)
Compound Name
N~1~-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(2-fluorophenyl)acetamide
IUPAC name
N-({10-ethyl-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-14-yl}methyl)-2-(2-fluorophenyl)acetamide
SMILES
CCN(c(ccc(CNC(Cc(cccc1)c1F)=O)c1)c1Sc1ncccc11)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
421.5
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
3.786
Distribution Coefficient, logD
3.786
Water Solubility, LogSw
-3.86
Polar Surface Area
50.649
Acid Dissociation Constant (pKa)
13.45
Base Dissociation Constant (pKb)
0.60
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.40
P618-0485 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with P618-0485 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)