J038-0587 Screening compound: 2-chloro-6-ethoxy-4-{9-methyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}phenol

J038-0587 Screening compound: 2-chloro-6-ethoxy-4-{9-methyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}phenol
J038-0587 Screening compound: 2-chloro-6-ethoxy-4-{9-methyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound J038-0587
2-chloro-6-ethoxy-4-{9-methyl-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

J038-0587

Molecular Formula

C21H24ClNO3 (C21 H24 ClNO3)

Compound Name

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

IUPAC name

4-[(4aS10bS)-9-methyl-2H3H4H4aH5H6H10bH-pyrano[32-c]quinolin-5-yl]-2-chloro-6-ethoxyphenol

SMILES

CCOc1cc(C([C@H]2[C@@H]3OCCC2)Nc2c3cc(C)cc2)cc(Cl)c1O

InChI

InChI=1S/C21H24ClNO3/c1-3-25-18-11-13(10-16(22)20(18)24)19-14-5-4-8-26-21(14)15-9-12(2)6-7-17(15)23-19/h6-7,9-11,14,19,21,23-24H,3-5,8H2,1-2H3/t14-,19?,21+/m0/s1

InChI Key

MOOKENYEKIKXLH-XTAYQOGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.112

Distribution Coefficient, logD

5.072

Water Solubility, LogSw

-5.17

Polar Surface Area

43.519

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.90

J038-0587 in Drug Discovery

Included in Screening Libraries

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)

Carbonic Anhydrase II Library (4939 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 J038-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J038-0587?
Check Price and Availability of J038-0587, 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 J038-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J038-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J038-0587
  • 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 J038-0587 available by request