P619-0258 Screening compound: N~8~-(3,5-difluorophenyl)-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound P619-0258
N~8~-(3,5-difluorophenyl)-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
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
P619-0258
Molecular Formula
C19H13F2N3O4S (C19 H13 F2 N3 O4 S)
Compound Name
N~8~-(3,5-difluorophenyl)-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
IUPAC name
N-(35-difluorophenyl)-9-methyl-10-oxo-2-oxa-79-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaene-13-sulfonamide
SMILES
CN(c(nccc1)c1Oc(cc1)c2cc1S(Nc1cc(F)cc(F)c1)(=O)=O)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
417.39
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.191
Distribution Coefficient, logD
1.766
Water Solubility, LogSw
-3.69
Polar Surface Area
73.583
Acid Dissociation Constant (pKa)
5.99
Base Dissociation Constant (pKb)
-0.76
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.30
P619-0258 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
New Agro Library (44492 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Kinases
- PPI modulators
- PPI modulators
- Agro
- Mimetics
References: we are preparing a list of scientific research reports with P619-0258 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)