0548-0319 Screening compound: N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,5-dimethyl-N~1~-phenylbenzamide
Chemical Structure Depiction of ChemDiv screening compound 0548-0319
N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,5-dimethyl-N~1~-phenylbenzamide
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
0548-0319
Molecular Formula
C29H23BrN2O3 (C29 H23 BrN2 O3)
Compound Name
N~1~-{2-[6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl}-3,5-dimethyl-N~1~-phenylbenzamide
IUPAC name
N-(2-{8-bromo-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}ethyl)-35-dimethyl-N-phenylbenzamide
SMILES
Cc1cc(C(N(CCN(C(c(cccc23)c2c2ccc3Br)=O)C2=O)c2ccccc2)=O)cc(C)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
527.42
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
6.324
Distribution Coefficient, logD
6.324
Water Solubility, LogSw
-6.05
Polar Surface Area
44.433
Acid Dissociation Constant (pKa)
26.90
Base Dissociation Constant (pKb)
-3.70
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.79
0548-0319 in Drug Discovery
Included in Screening Libraries
Frequent Hitters Library (7624 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with 0548-0319 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)