5650-0560 Screening compound: 2-butyl-5-[(1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione

5650-0560 Screening compound: 2-butyl-5-[(1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione
5650-0560 Screening compound: 2-butyl-5-[(1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5650-0560
2-butyl-5-[(1H-indol-3-yl)methylidene]-2-methyl-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

5650-0560

Molecular Formula

C18H19NO4 (C18 H19 NO4)

Compound Name

2-butyl-5-[(1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione

IUPAC name

2-butyl-5-[(1H-indol-3-yl)methylidene]-2-methyl-13-dioxane-46-dione

SMILES

CCCCC(C)(OC(C1=Cc2c[nH]c3c2cccc3)=O)OC1=O

InChI

InChI=1S/C18H19NO4/c1-3-4-9-18(2)22-16(20)14(17(21)23-18)10-12-11-19-15-8-6-5-7-13(12)15/h5-8,10-11,19H,3-4,9H2,1-2H3

InChI Key

HJWUIOACGTYYDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02798787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.01

Polar Surface Area

51.704

Acid Dissociation Constant (pKa)

17.53

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5650-0560 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5650-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5650-0560?
Check Price and Availability of 5650-0560, 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 5650-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5650-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5650-0560
  • 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 5650-0560 available by request