D060-0012 Screening compound: 4-methyl-2-oxo-8-propanoyl-2H-chromen-7-yl propanoate

D060-0012 Screening compound: 4-methyl-2-oxo-8-propanoyl-2H-chromen-7-yl propanoate
D060-0012 Screening compound: 4-methyl-2-oxo-8-propanoyl-2H-chromen-7-yl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D060-0012
4-methyl-2-oxo-8-propanoyl-2H-chromen-7-yl propanoate

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

D060-0012

Molecular Formula

C16H16O5 (C16 H16 O5)

Compound Name

4-methyl-2-oxo-8-propanoyl-2H-chromen-7-yl propanoate

IUPAC name

4-methyl-2-oxo-8-propanoyl-2H-chromen-7-yl propanoate

SMILES

CCC(c(c(OC(CC)=O)ccc1C(C)=C2)c1OC2=O)=O

InChI

InChI=1S/C16H16O5/c1-4-11(17)15-12(20-13(18)5-2)7-6-10-9(3)8-14(19)21-16(10)15/h6-8H,4-5H2,1-3H3

InChI Key

DALCSVMFPHHLRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02925701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.329

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-2.86

Polar Surface Area

53.718

Acid Dissociation Constant (pKa)

21.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D060-0012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D060-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D060-0012?
Check Price and Availability of D060-0012, 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 D060-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D060-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D060-0012
  • 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 D060-0012 available by request