1716-1847 Screening compound: cyclohexyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1847 Screening compound: cyclohexyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1847 Screening compound: cyclohexyl 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 1716-1847
cyclohexyl 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

1716-1847

Molecular Formula

C29H39NO4 (C29 H39 NO4)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1c(C2C(C(CC(C)(C)C3)=O)=C3NC(C)=C2C(OC2CCCCC2)=O)cccc1

InChI

InChI=1S/C29H39NO4/c1-5-6-16-33-24-15-11-10-14-21(24)26-25(28(32)34-20-12-8-7-9-13-20)19(2)30-22-17-29(3,4)18-23(31)27(22)26/h10-11,14-15,20,26,30H,5-9,12-13,16-18H2,1-4H3/t26-/m0/s1

InChI Key

VIAGEXZZAYFEIS-SANMLTNESA-N

MDL Number (MFCD)

MFCD00753182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.149

Distribution Coefficient, logD

2.862

Water Solubility, LogSw

-5.79

Polar Surface Area

51.510

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.60

1716-1847 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 1716-1847 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1716-1847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1847
  • 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 1716-1847 available by request