4681-2894 Screening compound: (5E)-5-({1-[2-(2H-1,3-benzodioxol-5-yloxy)ethyl]-1H-indol-3-yl}methylidene)-1-ethyl-1,3-diazinane-2,4,6-trione

4681-2894 Screening compound: (5E)-5-({1-[2-(2H-1,3-benzodioxol-5-yloxy)ethyl]-1H-indol-3-yl}methylidene)-1-ethyl-1,3-diazinane-2,4,6-trione
4681-2894 Screening compound: (5E)-5-({1-[2-(2H-1,3-benzodioxol-5-yloxy)ethyl]-1H-indol-3-yl}methylidene)-1-ethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4681-2894
(5E)-5-({1-[2-(2H-1,3-benzodioxol-5-yloxy)ethyl]-1H-indol-3-yl}methylidene)-1-ethyl-1,3-diazinane-2,4,6-trione

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

4681-2894

Molecular Formula

C24H21N3O6 (C24 H21 N3 O6)

Compound Name

(5E)-5-({1-[2-(2H-1,3-benzodioxol-5-yloxy)ethyl]-1H-indol-3-yl}methylidene)-1-ethyl-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-({1-[2-(2H-13-benzodioxol-5-yloxy)ethyl]-1H-indol-3-yl}methylidene)-1-ethyl-13-diazinane-246-trione

SMILES

CCN(C(/C(/C(N1)=O)=C/c2cn(CCOc(cc3)cc4c3OCO4)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C24H21N3O6/c1-2-27-23(29)18(22(28)25-24(27)30)11-15-13-26(19-6-4-3-5-17(15)19)9-10-31-16-7-8-20-21(12-16)33-14-32-20/h3-8,11-13H,2,9-10,14H2,1H3,(H,25,28,30)

InChI Key

PPKQXWRUYZOHDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

2.858

Water Solubility, LogSw

-3.28

Polar Surface Area

80.242

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 4681-2894 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4681-2894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4681-2894
  • 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 4681-2894 available by request