4223-7012 Screening compound: cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4223-7012 Screening compound: cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4223-7012 Screening compound: cyclopentyl 7-(3,4-dimethoxyphenyl)-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 4223-7012
cyclopentyl 7-(3,4-dimethoxyphenyl)-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

4223-7012

Molecular Formula

C30H32N2O7 (C30 H32 N2 O7)

Compound Name

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

IUPAC name

cyclopentyl 7-(34-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)cc(OC)c2OC)=C(C2c(cc3)ccc3[N+]([O-])=O)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C30H32N2O7/c1-17-27(30(34)39-22-6-4-5-7-22)28(18-8-11-21(12-9-18)32(35)36)29-23(31-17)14-20(15-24(29)33)19-10-13-25(37-2)26(16-19)38-3/h8-13,16,20,22,28,31H,4-7,14-15H2,1-3H3

InChI Key

NTDQRYUYOJKLGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.213

Distribution Coefficient, logD

0.733

Water Solubility, LogSw

-5.17

Polar Surface Area

92.742

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

4223-7012 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 4223-7012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-7012?
Check Price and Availability of 4223-7012, 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 4223-7012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-7012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-7012
  • 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 4223-7012 available by request