4058-0024 Screening compound: 2-(3-{[(5Z)-1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

4058-0024 Screening compound: 2-(3-{[(5Z)-1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide
4058-0024 Screening compound: 2-(3-{[(5Z)-1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4058-0024
2-(3-{[(5Z)-1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

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

4058-0024

Molecular Formula

C28H22N4O4 (C28 H22 N4 O4)

Compound Name

2-(3-{[(5Z)-1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

IUPAC name

2-(3-{[(5Z)-1-(3-methylphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

SMILES

Cc1cccc(N(C(/C(/C(N2)=O)=C\c3cn(CC(Nc4ccccc4)=O)c4c3cccc4)=O)C2=O)c1

InChI

InChI=1S/C28H22N4O4/c1-18-8-7-11-21(14-18)32-27(35)23(26(34)30-28(32)36)15-19-16-31(24-13-6-5-12-22(19)24)17-25(33)29-20-9-3-2-4-10-20/h2-16H,17H2,1H3,(H,29,33)(H,30,34,36)

InChI Key

QYZPCBLVJLOODE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.655

Water Solubility, LogSw

-3.97

Polar Surface Area

78.272

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 4058-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4058-0024?
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What is the minimum amount of 4058-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4058-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4058-0024
  • 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 4058-0024 available by request