2431-3847 Screening compound: PROPYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
Chemical Structure Depiction of ChemDiv screening compound 2431-3847
PROPYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
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
2431-3847
Molecular Formula
C23H27NO5 (C23 H27 NO5)
Compound Name
PROPYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
IUPAC name
n/a
SMILES
CCCOC(C(C1c(cc2)cc3c2OCO3)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
397.47
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.289
Distribution Coefficient, logD
0.002
Water Solubility, LogSw
-4.41
Polar Surface Area
62.085
Acid Dissociation Constant (pKa)
3.11
Base Dissociation Constant (pKb)
-2.69
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.80
References: we are preparing a list of scientific research reports with 2431-3847 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)