8017-5089 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate

8017-5089 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate
8017-5089 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5089
ethyl 4-(2,3-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate

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

8017-5089

Molecular Formula

C26H27NO6 (C26 H27 NO6)

Compound Name

ethyl 4-(2,3-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate

IUPAC name

ethyl 4-(23-dimethoxyphenyl)-25-dioxo-7-phenyl-12345678-octahydroquinoline-6-carboxylate

SMILES

CCOC(C(C(CC(NC(C1)=O)=C2C1c(cccc1OC)c1OC)c1ccccc1)C2=O)=O

InChI

InChI=1S/C26H27NO6/c1-4-33-26(30)23-17(15-9-6-5-7-10-15)13-19-22(24(23)29)18(14-21(28)27-19)16-11-8-12-20(31-2)25(16)32-3/h5-12,17-18,23H,4,13-14H2,1-3H3,(H,27,28)

InChI Key

MWLRCCCTLRNUCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

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

3.441

Distribution Coefficient, logD

2.416

Water Solubility, LogSw

-3.54

Polar Surface Area

73.735

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.62

8017-5089 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 8017-5089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5089?
Check Price and Availability of 8017-5089, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8017-5089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5089
  • 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 8017-5089 available by request