3192-2462 Screening compound: 2-ethoxyethyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3192-2462 Screening compound: 2-ethoxyethyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3192-2462 Screening compound: 2-ethoxyethyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3192-2462
2-ethoxyethyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-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

3192-2462

Molecular Formula

C22H24F3NO4 (C22 H24 F3 NO4)

Compound Name

2-ethoxyethyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-ethoxyethyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOCCOC(C(C1c2c(C(F)(F)F)cccc2)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C22H24F3NO4/c1-3-29-11-12-30-21(28)18-13(2)26-16-9-6-10-17(27)20(16)19(18)14-7-4-5-8-15(14)22(23,24)25/h4-5,7-8,19,26H,3,6,9-12H2,1-2H3/t19-/m0/s1

InChI Key

GDIJJTCLDWKXTA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00753087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.43

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

3.976

Distribution Coefficient, logD

0.080

Water Solubility, LogSw

-4.25

Polar Surface Area

52.946

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 3192-2462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3192-2462?
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What is the minimum amount of 3192-2462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3192-2462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3192-2462
  • 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 3192-2462 available by request