4213-0130 Screening compound: 2,2-dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione

4213-0130 Screening compound: 2,2-dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione
4213-0130 Screening compound: 2,2-dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4213-0130
2,2-dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione

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

4213-0130

Molecular Formula

C12H12O5 (C12 H12 O5)

Compound Name

2,2-dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione

IUPAC name

22-dimethyl-5-[(5-methylfuran-2-yl)methylidene]-13-dioxane-46-dione

SMILES

CC(C)(OC(C1=Cc2ccc(C)o2)=O)OC1=O

InChI

InChI=1S/C12H12O5/c1-7-4-5-8(15-7)6-9-10(13)16-12(2,3)17-11(9)14/h4-6H,1-3H3

InChI Key

GHGSQHBSHYQLED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

2.093

Water Solubility, LogSw

-2.33

Polar Surface Area

48.707

Acid Dissociation Constant (pKa)

30.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4213-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4213-0130?
Check Price and Availability of 4213-0130, 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 4213-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4213-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4213-0130
  • 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 4213-0130 available by request