8010-1455 Screening compound: propyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8010-1455 Screening compound: propyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8010-1455 Screening compound: propyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1455
propyl 4-(2-ethoxyphenyl)-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

8010-1455

Molecular Formula

C22H27NO4 (C22 H27 NO4)

Compound Name

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

IUPAC name

propyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOC(C(C1c(cccc2)c2OCC)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C22H27NO4/c1-4-13-27-22(25)19-14(3)23-16-10-8-11-17(24)21(16)20(19)15-9-6-7-12-18(15)26-5-2/h6-7,9,12,20,23H,4-5,8,10-11,13H2,1-3H3/t20-/m0/s1

InChI Key

DWGJLEQXUCEWIC-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

0.453

Water Solubility, LogSw

-4.34

Polar Surface Area

52.179

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 8010-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1455?
Check Price and Availability of 8010-1455, 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 8010-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1455
  • 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 8010-1455 available by request