5521-0079 Screening compound: 5,7-dimethyl-3-[(7Z)-6-oxo-3-(3,4,5-trimethoxyphenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one

5521-0079 Screening compound: 5,7-dimethyl-3-[(7Z)-6-oxo-3-(3,4,5-trimethoxyphenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one
5521-0079 Screening compound: 5,7-dimethyl-3-[(7Z)-6-oxo-3-(3,4,5-trimethoxyphenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5521-0079
5,7-dimethyl-3-[(7Z)-6-oxo-3-(3,4,5-trimethoxyphenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one

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

5521-0079

Molecular Formula

C24H24N4O5S (C24 H24 N4 O5 S)

Compound Name

5,7-dimethyl-3-[(7Z)-6-oxo-3-(3,4,5-trimethoxyphenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

57-dimethyl-3-[(7Z)-6-oxo-3-(345-trimethoxyphenyl)-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-7-ylidene]-23-dihydro-1H-indol-2-one

SMILES

Cc(cc1C)cc(/C2=C(\C(N3C4)=O)/SC3=NCN4c(cc3OC)cc(OC)c3OC)c1NC2=O

InChI

InChI=1S/C24H24N4O5S/c1-12-6-13(2)19-15(7-12)18(22(29)26-19)21-23(30)28-11-27(10-25-24(28)34-21)14-8-16(31-3)20(33-5)17(9-14)32-4/h6-9H,10-11H2,1-5H3,(H,26,29)

InChI Key

AXPBFLKWYVUJMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03302004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.724

Water Solubility, LogSw

-3.90

Polar Surface Area

75.476

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

5521-0079 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5521-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5521-0079?
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What is the minimum amount of 5521-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5521-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5521-0079
  • 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 5521-0079 available by request