1716-1909 Screening compound: 2-ethoxyethyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1909 Screening compound: 2-ethoxyethyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1909 Screening compound: 2-ethoxyethyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1909
2-ethoxyethyl 4-(2-butoxyphenyl)-2-methyl-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

1716-1909

Molecular Formula

C25H33NO5 (C25 H33 NO5)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1c(C2C(C(CCC3)=O)=C3NC(C)=C2C(OCCOCC)=O)cccc1

InChI

InChI=1S/C25H33NO5/c1-4-6-14-30-21-13-8-7-10-18(21)23-22(25(28)31-16-15-29-5-2)17(3)26-19-11-9-12-20(27)24(19)23/h7-8,10,13,23,26H,4-6,9,11-12,14-16H2,1-3H3/t23-/m0/s1

InChI Key

GUZIIJSIPWNWEN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00753169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

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

4.721

Distribution Coefficient, logD

0.825

Water Solubility, LogSw

-4.59

Polar Surface Area

60.451

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

1716-1909 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1716-1909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1909?
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What is the minimum amount of 1716-1909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1909
  • 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 1716-1909 available by request