5629-0086 Screening compound: (5Z)-2-phenyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5629-0086 Screening compound: (5Z)-2-phenyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5629-0086 Screening compound: (5Z)-2-phenyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0086
(5Z)-2-phenyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-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

5629-0086

Molecular Formula

C22H12F3N3O2S (C22 H12 F3 N3 O2 S)

Compound Name

(5Z)-2-phenyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-2-phenyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

O=C1n2nc(-c3ccccc3)nc2S/C1=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1

InChI

InChI=1S/C22H12F3N3O2S/c23-22(24,25)15-8-4-7-14(11-15)17-10-9-16(30-17)12-18-20(29)28-21(31-18)26-19(27-28)13-5-2-1-3-6-13/h1-12H

InChI Key

VLHKPQGSCSIICL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03532620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.008

Distribution Coefficient, logD

6.008

Water Solubility, LogSw

-6.18

Polar Surface Area

44.766

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 5629-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0086?
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What is the minimum amount of 5629-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0086
  • 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 5629-0086 available by request