4986-0911 Screening compound: 5-hydroxy-7-[(3-oxobutan-2-yl)oxy]-2-phenyl-4H-chromen-4-one

4986-0911 Screening compound: 5-hydroxy-7-[(3-oxobutan-2-yl)oxy]-2-phenyl-4H-chromen-4-one
4986-0911 Screening compound: 5-hydroxy-7-[(3-oxobutan-2-yl)oxy]-2-phenyl-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4986-0911
5-hydroxy-7-[(3-oxobutan-2-yl)oxy]-2-phenyl-4H-chromen-4-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

4986-0911

Molecular Formula

C19H16O5 (C19 H16 O5)

Compound Name

5-hydroxy-7-[(3-oxobutan-2-yl)oxy]-2-phenyl-4H-chromen-4-one

IUPAC name

5-hydroxy-7-[(3-oxobutan-2-yl)oxy]-2-phenyl-4H-chromen-4-one

SMILES

CC(C(C)=O)Oc(cc1O)cc(OC(c2ccccc2)=C2)c1C2=O

InChI

InChI=1S/C19H16O5/c1-11(20)12(2)23-14-8-15(21)19-16(22)10-17(24-18(19)9-14)13-6-4-3-5-7-13/h3-10,12,21H,1-2H3/t12-/m0/s1

InChI Key

PHMNRRVOPYEBQP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02081670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.17

Polar Surface Area

58.949

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

4986-0911 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
  • Eye
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4986-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4986-0911?
Check Price and Availability of 4986-0911, 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 4986-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4986-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4986-0911
  • 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 4986-0911 available by request