4737-7412 Screening compound: 2-phenylethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 4737-7412
2-phenylethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-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
4737-7412
Molecular Formula
C33H29NO5S (C33 H29 NO5 S)
Compound Name
2-phenylethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
IUPAC name
2-phenylethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate
SMILES
Cc(cc1)cc2c1OC=C(C1C(C(CC(C3)c4cccs4)=O)=C3NC(C)=C1C(OCCc1ccccc1)=O)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
551.66
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
6.223
Distribution Coefficient, logD
1.688
Water Solubility, LogSw
-5.49
Polar Surface Area
66.337
Acid Dissociation Constant (pKa)
2.87
Base Dissociation Constant (pKb)
-3.25
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
24.20
4737-7412 in Drug Discovery
Included in Screening Libraries
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 4737-7412 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)