5650-0689 Screening compound: 2-tert-butyl-5-[(1-ethyl-1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione

5650-0689 Screening compound: 2-tert-butyl-5-[(1-ethyl-1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione
5650-0689 Screening compound: 2-tert-butyl-5-[(1-ethyl-1H-indol-3-yl)methylidene]-2-methyl-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5650-0689
2-tert-butyl-5-[(1-ethyl-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

5650-0689

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(cccc2)c2c(C=C(C(OC(C)(C(C)(C)C)O2)=O)C2=O)c1

InChI

InChI=1S/C20H23NO4/c1-6-21-12-13(14-9-7-8-10-16(14)21)11-15-17(22)24-20(5,19(2,3)4)25-18(15)23/h7-12H,6H2,1-5H3

InChI Key

ALYNVKDIACQTRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03663378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-3.89

Polar Surface Area

43.077

Acid Dissociation Constant (pKa)

28.79

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 5650-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5650-0689?
Check Price and Availability of 5650-0689, 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 5650-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5650-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5650-0689
  • 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 5650-0689 available by request