C451-0199 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C451-0199 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C451-0199 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-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 C451-0199
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-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

C451-0199

Molecular Formula

C24H23N3O5S (C24 H23 N3 O5 S)

Compound Name

(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

IUPAC name

(2E)-2-[(34-dimethoxyphenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

CCCOc1ccc(CC2=NN(C(/C(/S3)=C\c(cc4)cc(OC)c4OC)=O)C3=NC2=O)cc1

InChI

InChI=1S/C24H23N3O5S/c1-4-11-32-17-8-5-15(6-9-17)12-18-22(28)25-24-27(26-18)23(29)21(33-24)14-16-7-10-19(30-2)20(13-16)31-3/h5-10,13-14H,4,11-12H2,1-3H3

InChI Key

WSQAPQOBKQMHCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-3.83

Polar Surface Area

73.230

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C451-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C451-0199?
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What is the minimum amount of C451-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C451-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0199
  • 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 C451-0199 available by request