4760-1971 Screening compound: (5E)-5-[(1-ethyl-1H-indol-3-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

4760-1971 Screening compound: (5E)-5-[(1-ethyl-1H-indol-3-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
4760-1971 Screening compound: (5E)-5-[(1-ethyl-1H-indol-3-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4760-1971
(5E)-5-[(1-ethyl-1H-indol-3-yl)methylidene]-1-(4-methylphenyl)-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

4760-1971

Molecular Formula

C22H19N3O3 (C22 H19 N3 O3)

Compound Name

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

IUPAC name

(5E)-5-[(1-ethyl-1H-indol-3-yl)methylidene]-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

CCn1c(cccc2)c2c(/C=C(\C(NC(N2c3ccc(C)cc3)=O)=O)/C2=O)c1

InChI

InChI=1S/C22H19N3O3/c1-3-24-13-15(17-6-4-5-7-19(17)24)12-18-20(26)23-22(28)25(21(18)27)16-10-8-14(2)9-11-16/h4-13H,3H2,1-2H3,(H,23,26,28)

InChI Key

JCEHEMNZFNKDEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01788825

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

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.099

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-3.10

Polar Surface Area

55.119

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 4760-1971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4760-1971?
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What is the minimum amount of 4760-1971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4760-1971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4760-1971
  • 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 4760-1971 available by request