2984-4780 Screening compound: cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2984-4780 Screening compound: cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2984-4780 Screening compound: cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2984-4780
cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-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

2984-4780

Molecular Formula

C30H33NO4 (C30 H33 NO4)

Compound Name

cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

Cc1ccc(C2C(C(CC(C3)c(cc4)ccc4OC)=O)=C3NC(C)=C2C(OC2CCCC2)=O)cc1

InChI

InChI=1S/C30H33NO4/c1-18-8-10-21(11-9-18)28-27(30(33)35-24-6-4-5-7-24)19(2)31-25-16-22(17-26(32)29(25)28)20-12-14-23(34-3)15-13-20/h8-15,22,24,28,31H,4-7,16-17H2,1-3H3

InChI Key

MOZOXFHZHOTREU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.196

Distribution Coefficient, logD

1.716

Water Solubility, LogSw

-5.54

Polar Surface Area

51.643

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

2984-4780 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 2984-4780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2984-4780?
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What is the minimum amount of 2984-4780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2984-4780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2984-4780
  • 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 2984-4780 available by request