P895-0118 Screening compound: N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)propanamide
Chemical Structure Depiction of ChemDiv screening compound P895-0118
N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)propanamide
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
P895-0118
Molecular Formula
C16H15N3O2S (C16 H15 N3 O2 S)
Compound Name
N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)propanamide
IUPAC name
N-{10-methyl-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-14-yl}propanamide
SMILES
CCC(Nc(cc1)cc(Sc2ncccc22)c1N(C)C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
313.38
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.999
Distribution Coefficient, logD
1.999
Water Solubility, LogSw
-2.90
Polar Surface Area
49.640
Acid Dissociation Constant (pKa)
13.27
Base Dissociation Constant (pKb)
0.56
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
18.80
P895-0118 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Anti-Aging Library (44940 compounds)
Antiviral Library (67538 compounds)
C-Met Library (15277 compounds)
SmartTM Library (51161 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Endocrine
- Epigenetic
- Receptor's ligands
- Kinases
References: we are preparing a list of scientific research reports with P895-0118 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)