2984-4734 Screening compound: 2-methylpropyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2984-4734 Screening compound: 2-methylpropyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2984-4734 Screening compound: 2-methylpropyl 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 2984-4734
2-methylpropyl 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

2984-4734

Molecular Formula

C28H30N2O6 (C28 H30 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COC(C(C1c2cccc([N+]([O-])=O)c2)=C(C)NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)=O

InChI

InChI=1S/C28H30N2O6/c1-16(2)15-36-28(32)25-17(3)29-23-13-20(18-8-10-22(35-4)11-9-18)14-24(31)27(23)26(25)19-6-5-7-21(12-19)30(33)34/h5-12,16,20,26,29H,13-15H2,1-4H3

InChI Key

WGDSMXVQUOJQML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.622

Distribution Coefficient, logD

1.142

Water Solubility, LogSw

-5.47

Polar Surface Area

85.704

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

2984-4734 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 2984-4734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2984-4734?
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What is the minimum amount of 2984-4734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2984-4734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2984-4734
  • 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 2984-4734 available by request