C451-0241 Screening compound: (2E)-2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C451-0241 Screening compound: (2E)-2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C451-0241 Screening compound: (2E)-2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)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 C451-0241
(2E)-2-[(4-fluorophenyl)methylidene]-6-[(4-methylphenyl)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

C451-0241

Molecular Formula

C20H14FN3O2S (C20 H14 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CC2=NN(C(/C(/S3)=C\c(cc4)ccc4F)=O)C3=NC2=O)cc1

InChI

InChI=1S/C20H14FN3O2S/c1-12-2-4-13(5-3-12)10-16-18(25)22-20-24(23-16)19(26)17(27-20)11-14-6-8-15(21)9-7-14/h2-9,11H,10H2,1H3

InChI Key

WEHGDDHACGVIDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06290972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.565

Distribution Coefficient, logD

3.565

Water Solubility, LogSw

-3.64

Polar Surface Area

50.552

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with C451-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C451-0241?
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What is the minimum amount of C451-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C451-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0241
  • 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 C451-0241 available by request