4986-0586 Screening compound: 3-HYDROXY-4-METHYL-6H,7H,8H,9H,10H,11H-CYCLOHEPTA[C]CHROMEN-6-ONE

4986-0586 Screening compound: 3-HYDROXY-4-METHYL-6H,7H,8H,9H,10H,11H-CYCLOHEPTA[C]CHROMEN-6-ONE
4986-0586 Screening compound: 3-HYDROXY-4-METHYL-6H,7H,8H,9H,10H,11H-CYCLOHEPTA[C]CHROMEN-6-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4986-0586
3-HYDROXY-4-METHYL-6H,7H,8H,9H,10H,11H-CYCLOHEPTA[C]CHROMEN-6-ONE

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

4986-0586

Molecular Formula

C15H16O3 (C15 H16 O3)

Compound Name

3-HYDROXY-4-METHYL-6H,7H,8H,9H,10H,11H-CYCLOHEPTA[C]CHROMEN-6-ONE

IUPAC name

n/a

SMILES

Cc(c(O1)c(cc2)C(CCCCC3)=C3C1=O)c2O

InChI

InChI=1S/C15H16O3/c1-9-13(16)8-7-11-10-5-3-2-4-6-12(10)15(17)18-14(9)11/h7-8,16H,2-6H2,1H3

InChI Key

SWBDIHXOLXVPJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-3.53

Polar Surface Area

37.644

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4986-0586 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4986-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4986-0586?
Check Price and Availability of 4986-0586, 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 4986-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4986-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4986-0586
  • 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 4986-0586 available by request