2984-4728 Screening compound: cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2984-4728 Screening compound: cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2984-4728 Screening compound: cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2984-4728
cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-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

2984-4728

Molecular Formula

C29H30N2O6 (C29 H30 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC(C1)c(cc2)ccc2OC)=C(C2c3cccc([N+]([O-])=O)c3)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C29H30N2O6/c1-17-26(29(33)37-23-8-3-4-9-23)27(19-6-5-7-21(14-19)31(34)35)28-24(30-17)15-20(16-25(28)32)18-10-12-22(36-2)13-11-18/h5-7,10-14,20,23,27,30H,3-4,8-9,15-16H2,1-2H3

InChI Key

FKTHINREAMZRNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.638

Distribution Coefficient, logD

1.157

Water Solubility, LogSw

-5.39

Polar Surface Area

85.025

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

2984-4728 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 2984-4728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2984-4728?
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What is the minimum amount of 2984-4728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2984-4728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2984-4728
  • 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 2984-4728 available by request