3014-4901 Screening compound: propyl 7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3014-4901 Screening compound: propyl 7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3014-4901 Screening compound: propyl 7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3014-4901
propyl 7-(4-methoxyphenyl)-2-methyl-4-(4-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

3014-4901

Molecular Formula

C27H28N2O6 (C27 H28 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCCOC(C(C1c(cc2)ccc2[N+]([O-])=O)=C(C)NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)=O

InChI

InChI=1S/C27H28N2O6/c1-4-13-35-27(31)24-16(2)28-22-14-19(17-7-11-21(34-3)12-8-17)15-23(30)26(22)25(24)18-5-9-20(10-6-18)29(32)33/h5-12,19,25,28H,4,13-15H2,1-3H3

InChI Key

KFKLRBZMOXBICU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

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

5.441

Distribution Coefficient, logD

0.961

Water Solubility, LogSw

-5.45

Polar Surface Area

85.623

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

3014-4901 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 3014-4901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3014-4901?
Check Price and Availability of 3014-4901, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3014-4901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3014-4901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3014-4901
  • 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 3014-4901 available by request