L867-0321 Screening compound: 2-oxooxolan-3-yl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of ChemDiv screening compound L867-0321
2-oxooxolan-3-yl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-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
L867-0321
Molecular Formula
C21H17NO6 (C21 H17 NO6)
Compound Name
2-oxooxolan-3-yl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
IUPAC name
2-oxooxolan-3-yl 2-(3-methoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxylate
SMILES
COc1cccc(N(C=C(C(OC(CCO2)C2=O)=O)c2c3cccc2)C3=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
379.37
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.913
Distribution Coefficient, logD
1.913
Water Solubility, LogSw
-2.61
Polar Surface Area
65.479
Acid Dissociation Constant (pKa)
16.14
Base Dissociation Constant (pKb)
-2.21
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
19.00
L867-0321 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with L867-0321 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)