2266-2473 Screening compound: ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2266-2473 Screening compound: ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2266-2473 Screening compound: ethyl 7-(4-chlorophenyl)-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 2266-2473
ethyl 7-(4-chlorophenyl)-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

2266-2473

Molecular Formula

C27H29ClN2O3 (C27 H29 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c(cc2)ccc2N(C)C)=C(C)NC(CC(C2)c(cc3)ccc3Cl)=C1C2=O)=O

InChI

InChI=1S/C27H29ClN2O3/c1-5-33-27(32)24-16(2)29-22-14-19(17-6-10-20(28)11-7-17)15-23(31)26(22)25(24)18-8-12-21(13-9-18)30(3)4/h6-13,19,25,29H,5,14-15H2,1-4H3

InChI Key

BONHSRWRNXSOJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01367187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.99

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

5.706

Distribution Coefficient, logD

1.226

Water Solubility, LogSw

-6.32

Polar Surface Area

47.208

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

2266-2473 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 2266-2473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2266-2473?
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What is the minimum amount of 2266-2473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2266-2473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2266-2473
  • 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 2266-2473 available by request