D060-0114 Screening compound: 4-methyl-3-(3-methylbutyl)-7-(pentyloxy)-2H-chromen-2-one

D060-0114 Screening compound: 4-methyl-3-(3-methylbutyl)-7-(pentyloxy)-2H-chromen-2-one
D060-0114 Screening compound: 4-methyl-3-(3-methylbutyl)-7-(pentyloxy)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D060-0114
4-methyl-3-(3-methylbutyl)-7-(pentyloxy)-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

D060-0114

Molecular Formula

C20H28O3 (C20 H28 O3)

Compound Name

4-methyl-3-(3-methylbutyl)-7-(pentyloxy)-2H-chromen-2-one

IUPAC name

4-methyl-3-(3-methylbutyl)-7-(pentyloxy)-2H-chromen-2-one

SMILES

CCCCCOc(cc1)cc(O2)c1C(C)=C(CCC(C)C)C2=O

InChI

InChI=1S/C20H28O3/c1-5-6-7-12-22-16-9-11-17-15(4)18(10-8-14(2)3)20(21)23-19(17)13-16/h9,11,13-14H,5-8,10,12H2,1-4H3

InChI Key

ONGZXSKETIYJNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02925758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.254

Distribution Coefficient, logD

6.254

Water Solubility, LogSw

-5.38

Polar Surface Area

28.578

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

D060-0114 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D060-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D060-0114?
Check Price and Availability of D060-0114, 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 D060-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D060-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D060-0114
  • 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 D060-0114 available by request