C451-0158 Screening compound: (2E)-6-[(4-fluorophenyl)methyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C451-0158 Screening compound: (2E)-6-[(4-fluorophenyl)methyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C451-0158 Screening compound: (2E)-6-[(4-fluorophenyl)methyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-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 C451-0158
(2E)-6-[(4-fluorophenyl)methyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-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

C451-0158

Molecular Formula

C20H14FN3O2S2 (C20 H14 FN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(/C=C(\C(N2N=C3Cc(cc4)ccc4F)=O)/SC2=NC3=O)cc1

InChI

InChI=1S/C20H14FN3O2S2/c1-27-15-8-4-13(5-9-15)11-17-19(26)24-20(28-17)22-18(25)16(23-24)10-12-2-6-14(21)7-3-12/h2-9,11H,10H2,1H3

InChI Key

FDFPPPWHEUFPKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.861

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.02

Polar Surface Area

50.552

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C451-0158 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C451-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C451-0158?
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What is the minimum amount of C451-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C451-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0158
  • 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 C451-0158 available by request