1716-1912 Screening compound: 2-ethoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1912 Screening compound: 2-ethoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1912 Screening compound: 2-ethoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1912
2-ethoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-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

1716-1912

Molecular Formula

C24H31NO6 (C24 H31 NO6)

Compound Name

2-ethoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-ethoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOCCOC(C(C1c(cc2)cc(OC)c2O)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C24H31NO6/c1-6-30-9-10-31-23(28)20-14(2)25-16-12-24(3,4)13-18(27)22(16)21(20)15-7-8-17(26)19(11-15)29-5/h7-8,11,21,25-26H,6,9-10,12-13H2,1-5H3/t21-/m0/s1

InChI Key

ZJDLRPFHGLESJX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00753331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

-1.490

Water Solubility, LogSw

-2.99

Polar Surface Area

77.125

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 1716-1912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1912?
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What is the minimum amount of 1716-1912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1912
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1716-1912 available by request