6187-2111 Screening compound: (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-2111 Screening compound: (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-2111 Screening compound: (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-2111
(5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(4-fluorophenyl)-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

6187-2111

Molecular Formula

C22H20FN3O3S (C22 H20 FN3 O3 S)

Compound Name

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

IUPAC name

(5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(4-fluorophenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCOc(ccc(/C=C1\Sc2nc(-c(cc3)ccc3F)nn2C1=O)c1)c1OCC

InChI

InChI=1S/C22H20FN3O3S/c1-3-11-29-17-10-5-14(12-18(17)28-4-2)13-19-21(27)26-22(30-19)24-20(25-26)15-6-8-16(23)9-7-15/h5-10,12-13H,3-4,11H2,1-2H3

InChI Key

DGWSZYNSISXSGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04029753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.887

Distribution Coefficient, logD

4.887

Water Solubility, LogSw

-4.69

Polar Surface Area

51.911

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 6187-2111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-2111?
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What is the minimum amount of 6187-2111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-2111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-2111
  • 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 6187-2111 available by request