8017-5060 Screening compound: ethyl 2,5-dioxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate

8017-5060 Screening compound: ethyl 2,5-dioxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate
8017-5060 Screening compound: ethyl 2,5-dioxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydro-6-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5060
ethyl 2,5-dioxo-7-phenyl-4-[2-(trifluoromethyl)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

8017-5060

Molecular Formula

C25H22F3NO4 (C25 H22 F3 NO4)

Compound Name

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

IUPAC name

ethyl 25-dioxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-12345678-octahydroquinoline-6-carboxylate

SMILES

CCOC(C(C(CC(NC(C1)=O)=C2C1c1c(C(F)(F)F)cccc1)c1ccccc1)C2=O)=O

InChI

InChI=1S/C25H22F3NO4/c1-2-33-24(32)22-16(14-8-4-3-5-9-14)12-19-21(23(22)31)17(13-20(30)29-19)15-10-6-7-11-18(15)25(26,27)28/h3-11,16-17,22H,2,12-13H2,1H3,(H,29,30)

InChI Key

FGSXXPJBZQWKOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-4.33

Polar Surface Area

58.387

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 8017-5060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5060?
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What is the minimum amount of 8017-5060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5060
  • 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 8017-5060 available by request