2406-3705 Screening compound: propyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2406-3705 Screening compound: propyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2406-3705 Screening compound: propyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2406-3705
propyl 4-[4-(dimethylamino)phenyl]-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

2406-3705

Molecular Formula

C22H28N2O3 (C22 H28 N2 O3)

Compound Name

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

IUPAC name

propyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOC(C(C1c(cc2)ccc2N(C)C)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C22H28N2O3/c1-5-13-27-22(26)19-14(2)23-17-7-6-8-18(25)21(17)20(19)15-9-11-16(12-10-15)24(3)4/h9-12,20,23H,5-8,13H2,1-4H3/t20-/m0/s1

InChI Key

PWLMDOCRAWILST-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00771074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.821

Distribution Coefficient, logD

-0.075

Water Solubility, LogSw

-4.02

Polar Surface Area

47.774

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

2406-3705 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 2406-3705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2406-3705?
Check Price and Availability of 2406-3705, 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 2406-3705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2406-3705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2406-3705
  • 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 2406-3705 available by request