J099-0208 Screening compound: N~5~-benzyl-8-bromo-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound J099-0208
N~5~-benzyl-8-bromo-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-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
J099-0208
Molecular Formula
C19H15BrN2O2 (C19 H15 BrN2 O2)
Compound Name
N~5~-benzyl-8-bromo-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
IUPAC name
N-benzyl-6-bromo-9-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)10-tetraene-10-carboxamide
SMILES
O=C(C1=CN(CCc2cc(Br)c3)c2c3C1=O)NCc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
383.24
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.457
Distribution Coefficient, logD
3.457
Water Solubility, LogSw
-3.83
Polar Surface Area
41.662
Acid Dissociation Constant (pKa)
10.88
Base Dissociation Constant (pKb)
-1.67
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.80
J099-0208 in Drug Discovery
Included in Screening Libraries
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Epigenetic
References: we are preparing a list of scientific research reports with J099-0208 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)