J038-2860 Screening compound: (3aS,9bS)-8-ethyl-4-(4-pyridyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

J038-2860 Screening compound: (3aS,9bS)-8-ethyl-4-(4-pyridyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
J038-2860 Screening compound: (3aS,9bS)-8-ethyl-4-(4-pyridyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound J038-2860
(3aS,9bS)-8-ethyl-4-(4-pyridyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

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

J038-2860

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

(3aS,9bS)-8-ethyl-4-(4-pyridyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

IUPAC name

4-[(3aS9bS)-8-ethyl-2H3H3aH4H5H9bH-furo[32-c]quinolin-4-yl]pyridine

SMILES

CCc(cc1)cc([C@H]2OCC[C@H]22)c1NC2c1ccncc1

InChI

InChI=1S/C18H20N2O/c1-2-12-3-4-16-15(11-12)18-14(7-10-21-18)17(20-16)13-5-8-19-9-6-13/h3-6,8-9,11,14,17-18,20H,2,7,10H2,1H3/t14-,17?,18+/m1/s1

InChI Key

VRXONWIPFBCEAN-CFNGDTMJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.28

Polar Surface Area

30.624

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.89

J038-2860 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Fragments
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J038-2860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J038-2860?
Check Price and Availability of J038-2860, 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 J038-2860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J038-2860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J038-2860
  • 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 J038-2860 available by request