3456-0115 Screening compound: (5E)-5-[(furan-2-yl)methylidene]-2,2-dimethyloxan-4-one

3456-0115 Screening compound: (5E)-5-[(furan-2-yl)methylidene]-2,2-dimethyloxan-4-one
3456-0115 Screening compound: (5E)-5-[(furan-2-yl)methylidene]-2,2-dimethyloxan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-0115
(5E)-5-[(furan-2-yl)methylidene]-2,2-dimethyloxan-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

3456-0115

Molecular Formula

C12H14O3 (C12 H14 O3)

Compound Name

(5E)-5-[(furan-2-yl)methylidene]-2,2-dimethyloxan-4-one

IUPAC name

(5E)-5-[(furan-2-yl)methylidene]-22-dimethyloxan-4-one

SMILES

CC(C)(CC1=O)OC/C1=C\c1ccco1

InChI

InChI=1S/C12H14O3/c1-12(2)7-11(13)9(8-15-12)6-10-4-3-5-14-10/h3-6H,7-8H2,1-2H3

InChI Key

KWAKYMRJOMVREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01546438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.29

Polar Surface Area

28.853

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 3456-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-0115?
Check Price and Availability of 3456-0115, 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 3456-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-0115
  • 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 3456-0115 available by request