8018-3830 Screening compound: 1,3,3,7,9-pentamethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
Chemical Structure Depiction of ChemDiv screening compound 8018-3830
1,3,3,7,9-pentamethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
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
8018-3830
Molecular Formula
C17H21NO (C17 H21 NO)
Compound Name
1,3,3,7,9-pentamethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
IUPAC name
47101212-pentamethyl-1-azatricyclo[7.3.1.0^{513}]trideca-3579(13)-tetraen-2-one
SMILES
CC(CC1(C)C)c2cc(C)cc(C(C)=C3)c2N1C3=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
255.36
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
3.541
Distribution Coefficient, logD
3.541
Water Solubility, LogSw
-3.76
Polar Surface Area
16.605
Acid Dissociation Constant (pKa)
23.07
Base Dissociation Constant (pKb)
-4.43
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.10
8018-3830 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Agro
- Agro
References: we are preparing a list of scientific research reports with 8018-3830 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)