1965-0018 Screening compound: ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1965-0018 Screening compound: ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1965-0018 Screening compound: ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1965-0018
ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-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

1965-0018

Molecular Formula

C22H25NO6 (C22 H25 NO6)

Compound Name

ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C1c(cc2)cc(OC)c2OC(C)=O)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C22H25NO6/c1-5-28-22(26)19-12(2)23-15-7-6-8-16(25)21(15)20(19)14-9-10-17(29-13(3)24)18(11-14)27-4/h9-11,20,23H,5-8H2,1-4H3/t20-/m0/s1

InChI Key

DRRWQWXLYUIXDC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01122119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

-1.108

Water Solubility, LogSw

-3.34

Polar Surface Area

73.143

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 1965-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1965-0018?
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What is the minimum amount of 1965-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1965-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1965-0018
  • 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 1965-0018 available by request