0080-0036 Screening compound: 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one

0080-0036 Screening compound: 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
0080-0036 Screening compound: 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0080-0036
7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-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

0080-0036

Molecular Formula

C15H16O3 (C15 H16 O3)

Compound Name

7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one

IUPAC name

7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one

SMILES

CC(C)=CCc(c(O1)c(cc2)C=CC1=O)c2OC

InChI

InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3

InChI Key

MBRLOUHOWLUMFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00076049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-4.33

Polar Surface Area

27.960

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

0080-0036 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Glucocorticoid receptors Library (4806 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Immune system
Targets:
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0080-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0080-0036?
Check Price and Availability of 0080-0036, 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 0080-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0080-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0080-0036
  • 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 0080-0036 available by request