1716-1832 Screening compound: 2-ethoxyethyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1832 Screening compound: 2-ethoxyethyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1832 Screening compound: 2-ethoxyethyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1832
2-ethoxyethyl 4-(2-butoxyphenyl)-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

1716-1832

Molecular Formula

C27H37NO5 (C27 H37 NO5)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1c(C2C(C(CC(C)(C)C3)=O)=C3NC(C)=C2C(OCCOCC)=O)cccc1

InChI

InChI=1S/C27H37NO5/c1-6-8-13-32-22-12-10-9-11-19(22)24-23(26(30)33-15-14-31-7-2)18(3)28-20-16-27(4,5)17-21(29)25(20)24/h9-12,24,28H,6-8,13-17H2,1-5H3/t24-/m0/s1

InChI Key

QCUZJGZPXOHHCN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00753073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.327

Distribution Coefficient, logD

1.040

Water Solubility, LogSw

-5.28

Polar Surface Area

60.451

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with 1716-1832 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.
Delivery options for 1716-1832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1832
  • 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 1716-1832 available by request