2406-3721 Screening compound: cyclopentyl 2-methyl-5-oxo-4-(4-pyridyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

2406-3721 Screening compound: cyclopentyl 2-methyl-5-oxo-4-(4-pyridyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
2406-3721 Screening compound: cyclopentyl 2-methyl-5-oxo-4-(4-pyridyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2406-3721
cyclopentyl 2-methyl-5-oxo-4-(4-pyridyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

2406-3721

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

cyclopentyl 2-methyl-5-oxo-4-(4-pyridyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

cyclopentyl 2-methyl-5-oxo-4-(pyridin-4-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c3ccncc3)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C21H24N2O3/c1-13-18(21(25)26-15-5-2-3-6-15)19(14-9-11-22-12-10-14)20-16(23-13)7-4-8-17(20)24/h9-12,15,19,23H,2-8H2,1H3/t19-/m0/s1

InChI Key

DUUKPEWHSGOATK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00771149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

-1.065

Water Solubility, LogSw

-3.19

Polar Surface Area

53.799

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

2406-3721 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 2406-3721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2406-3721?
Check Price and Availability of 2406-3721, 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 2406-3721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2406-3721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2406-3721
  • 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 2406-3721 available by request