5606-4218 Screening compound: (2Z)-2-[(3,4-diethoxyphenyl)methylidene]-6-phenyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

5606-4218 Screening compound: (2Z)-2-[(3,4-diethoxyphenyl)methylidene]-6-phenyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
5606-4218 Screening compound: (2Z)-2-[(3,4-diethoxyphenyl)methylidene]-6-phenyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5606-4218
(2Z)-2-[(3,4-diethoxyphenyl)methylidene]-6-phenyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

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

5606-4218

Molecular Formula

C22H19N3O4S (C22 H19 N3 O4 S)

Compound Name

(2Z)-2-[(3,4-diethoxyphenyl)methylidene]-6-phenyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

IUPAC name

(2Z)-2-[(34-diethoxyphenyl)methylidene]-6-phenyl-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

CCOc(ccc(/C=C(/C(N1N=C2c3ccccc3)=O)\SC1=NC2=O)c1)c1OCC

InChI

InChI=1S/C22H19N3O4S/c1-3-28-16-11-10-14(12-17(16)29-4-2)13-18-21(27)25-22(30-18)23-20(26)19(24-25)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3

InChI Key

PBPDYDDTDZXVGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03662846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.26

Polar Surface Area

65.069

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 5606-4218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5606-4218?
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What is the minimum amount of 5606-4218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5606-4218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5606-4218
  • 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 5606-4218 available by request