3192-2574 Screening compound: ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3192-2574 Screening compound: ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3192-2574 Screening compound: ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3192-2574
ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-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

3192-2574

Molecular Formula

C28H30ClNO4 (C28 H30 ClNO4)

Compound Name

ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOc1c(C2C(C(CC(C3)c(cc4)ccc4Cl)=O)=C3NC(C)=C2C(OCC)=O)cccc1

InChI

InChI=1S/C28H30ClNO4/c1-4-14-34-24-9-7-6-8-21(24)26-25(28(32)33-5-2)17(3)30-22-15-19(16-23(31)27(22)26)18-10-12-20(29)13-11-18/h6-13,19,26,30H,4-5,14-16H2,1-3H3

InChI Key

RAIKCPKTDDQLPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01191860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480

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

6.911

Distribution Coefficient, logD

2.430

Water Solubility, LogSw

-6.47

Polar Surface Area

51.908

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

3192-2574 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3192-2574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3192-2574?
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What is the minimum amount of 3192-2574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3192-2574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3192-2574
  • 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 3192-2574 available by request