J038-0651 Screening compound: 9-ethyl-5-(4-methylphenyl)-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinoline

J038-0651 Screening compound: 9-ethyl-5-(4-methylphenyl)-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinoline
J038-0651 Screening compound: 9-ethyl-5-(4-methylphenyl)-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound J038-0651
9-ethyl-5-(4-methylphenyl)-2H,3H,4H,4aH,5H,6H,10bH-pyrano[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

J038-0651

Molecular Formula

C21H25NO (C21 H25 NO)

Compound Name

9-ethyl-5-(4-methylphenyl)-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinoline

IUPAC name

(4aS10bS)-9-ethyl-5-(4-methylphenyl)-2H3H4H4aH5H6H10bH-pyrano[32-c]quinoline

SMILES

CCc(cc1)cc([C@H]2OCCC[C@H]22)c1NC2c1ccc(C)cc1

InChI

InChI=1S/C21H25NO/c1-3-15-8-11-19-18(13-15)21-17(5-4-12-23-21)20(22-19)16-9-6-14(2)7-10-16/h6-11,13,17,20-22H,3-5,12H2,1-2H3/t17-,20?,21-/m0/s1

InChI Key

UACJRDIIFIJENF-ZPWCZAOQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.44

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.104

Distribution Coefficient, logD

5.104

Water Solubility, LogSw

-4.92

Polar Surface Area

20.830

Acid Dissociation Constant (pKa)

18.63

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.90

J038-0651 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D Mimetics PPI Library (1617 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J038-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J038-0651?
Check Price and Availability of J038-0651, 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 J038-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J038-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J038-0651
  • 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 J038-0651 available by request