4724-5195 Screening compound: (5Z)-1-(3,5-dimethylphenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

4724-5195 Screening compound: (5Z)-1-(3,5-dimethylphenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
4724-5195 Screening compound: (5Z)-1-(3,5-dimethylphenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4724-5195
(5Z)-1-(3,5-dimethylphenyl)-5-{[1-(prop-2-yn-1-yl)-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

4724-5195

Molecular Formula

C24H19N3O3 (C24 H19 N3 O3)

Compound Name

(5Z)-1-(3,5-dimethylphenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-1-(35-dimethylphenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-13-diazinane-246-trione

SMILES

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

InChI

InChI=1S/C24H19N3O3/c1-4-9-26-14-17(19-7-5-6-8-21(19)26)13-20-22(28)25-24(30)27(23(20)29)18-11-15(2)10-16(3)12-18/h1,5-8,10-14H,9H2,2-3H3,(H,25,28,30)

InChI Key

NJEUVSJRFLKFJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-3.98

Polar Surface Area

55.373

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4724-5195 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4724-5195 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4724-5195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4724-5195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4724-5195
  • 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 4724-5195 available by request