C451-0171 Screening compound: (2E)-2-[(3-methoxyphenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C451-0171 Screening compound: (2E)-2-[(3-methoxyphenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C451-0171 Screening compound: (2E)-2-[(3-methoxyphenyl)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 C451-0171
(2E)-2-[(3-methoxyphenyl)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

C451-0171

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

(2E)-2-[(3-methoxyphenyl)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-[(3-methoxyphenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

CCCOc1ccc(CC2=NN(C(/C(/S3)=C\c4cc(OC)ccc4)=O)C3=NC2=O)cc1

InChI

InChI=1S/C23H21N3O4S/c1-3-11-30-17-9-7-15(8-10-17)13-19-21(27)24-23-26(25-19)22(28)20(31-23)14-16-5-4-6-18(12-16)29-2/h4-10,12,14H,3,11,13H2,1-2H3

InChI Key

OHAFIFWKTIFMEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06290918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.16

Polar Surface Area

65.513

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C451-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C451-0171?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C451-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0171
  • 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 C451-0171 available by request