6000-2084 Screening compound: (5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6000-2084 Screening compound: (5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6000-2084 Screening compound: (5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6000-2084
(5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)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

6000-2084

Molecular Formula

C21H18FN3O2S (C21 H18 FN3 O2 S)

Compound Name

(5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1-c1nn(C(/C(/S2)=C\c3cc(F)ccc3)=O)c2n1

InChI

InChI=1S/C21H18FN3O2S/c1-2-3-11-27-17-9-7-15(8-10-17)19-23-21-25(24-19)20(26)18(28-21)13-14-5-4-6-16(22)12-14/h4-10,12-13H,2-3,11H2,1H3

InChI Key

ZRCUJWQDHSIQEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04441946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.546

Distribution Coefficient, logD

5.546

Water Solubility, LogSw

-5.35

Polar Surface Area

44.614

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 6000-2084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6000-2084?
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What is the minimum amount of 6000-2084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6000-2084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6000-2084
  • 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 6000-2084 available by request