4724-2145 Screening compound: (5E)-1-(3,5-dimethylphenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

4724-2145 Screening compound: (5E)-1-(3,5-dimethylphenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
4724-2145 Screening compound: (5E)-1-(3,5-dimethylphenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4724-2145
(5E)-1-(3,5-dimethylphenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-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

4724-2145

Molecular Formula

C22H19N3O3 (C22 H19 N3 O3)

Compound Name

(5E)-1-(3,5-dimethylphenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(35-dimethylphenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-13-diazinane-246-trione

SMILES

Cc1cc(N(C(/C(/C(N2)=O)=C/c3cn(C)c4c3cccc4)=O)C2=O)cc(C)c1

InChI

InChI=1S/C22H19N3O3/c1-13-8-14(2)10-16(9-13)25-21(27)18(20(26)23-22(25)28)11-15-12-24(3)19-7-5-4-6-17(15)19/h4-12H,1-3H3,(H,23,26,28)

InChI Key

ISNFYXYOUWULBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.70

Polar Surface Area

55.950

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 4724-2145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4724-2145?
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What is the minimum amount of 4724-2145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4724-2145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4724-2145
  • 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 4724-2145 available by request