5629-0811 Screening compound: (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5629-0811 Screening compound: (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5629-0811 Screening compound: (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0811
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

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

5629-0811

Molecular Formula

C18H11ClFN3OS (C18 H11 ClFN3 OS)

Compound Name

(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-methylphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-methylphenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

Cc(cc1)ccc1-c1nn(C(/C(/S2)=C/c(c(F)ccc3)c3Cl)=O)c2n1

InChI

InChI=1S/C18H11ClFN3OS/c1-10-5-7-11(8-6-10)16-21-18-23(22-16)17(24)15(25-18)9-12-13(19)3-2-4-14(12)20/h2-9H,1H3

InChI Key

SPAQIZXASIYCNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03462824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.949

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-5.05

Polar Surface Area

37.196

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 5629-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0811?
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What is the minimum amount of 5629-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0811
  • 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 5629-0811 available by request