J038-0752 Screening compound: 2-chloro-4-{9-ethyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}phenol

J038-0752 Screening compound: 2-chloro-4-{9-ethyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}phenol
J038-0752 Screening compound: 2-chloro-4-{9-ethyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound J038-0752
2-chloro-4-{9-ethyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}phenol

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

J038-0752

Molecular Formula

C20H22ClNO2 (C20 H22 ClNO2)

Compound Name

2-chloro-4-{9-ethyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}phenol

IUPAC name

4-[(4aS10bS)-9-ethyl-2H3H4H4aH5H6H10bH-pyrano[32-c]quinolin-5-yl]-2-chlorophenol

SMILES

CCc(cc1)cc([C@H]2OCCC[C@@H]22)c1NC2c(cc1)cc(Cl)c1O

InChI

InChI=1S/C20H22ClNO2/c1-2-12-5-7-17-15(10-12)20-14(4-3-9-24-20)19(22-17)13-6-8-18(23)16(21)11-13/h5-8,10-11,14,19-20,22-23H,2-4,9H2,1H3/t14-,19?,20+/m0/s1

InChI Key

XXEWUUMFAXWNKK-XLDGYAMZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.946

Water Solubility, LogSw

-4.73

Polar Surface Area

37.378

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

J038-0752 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Hsp90-Targeted Library (11355 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with J038-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J038-0752?
Check Price and Availability of J038-0752, 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 J038-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J038-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J038-0752
  • 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 J038-0752 available by request