2266-2478 Screening compound: ethyl 7-(4-chlorophenyl)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2266-2478 Screening compound: ethyl 7-(4-chlorophenyl)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2266-2478 Screening compound: ethyl 7-(4-chlorophenyl)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2266-2478
ethyl 7-(4-chlorophenyl)-4-[4-(diethylamino)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

2266-2478

Molecular Formula

C29H33ClN2O3 (C29 H33 ClN2 O3)

Compound Name

ethyl 7-(4-chlorophenyl)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

ethyl 7-(4-chlorophenyl)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCN(CC)c1ccc(C2C(C(CC(C3)c(cc4)ccc4Cl)=O)=C3NC(C)=C2C(OCC)=O)cc1

InChI

InChI=1S/C29H33ClN2O3/c1-5-32(6-2)23-14-10-20(11-15-23)27-26(29(34)35-7-3)18(4)31-24-16-21(17-25(33)28(24)27)19-8-12-22(30)13-9-19/h8-15,21,27,31H,5-7,16-17H2,1-4H3

InChI Key

ONJLJRPIIUFQRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01367191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.427

Distribution Coefficient, logD

1.946

Water Solubility, LogSw

-6.66

Polar Surface Area

47.140

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

2266-2478 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2266-2478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2266-2478?
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What is the minimum amount of 2266-2478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2266-2478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2266-2478
  • 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 2266-2478 available by request