4341-3251 Screening compound: (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(pyridin-3-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

4341-3251 Screening compound: (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(pyridin-3-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
4341-3251 Screening compound: (5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(pyridin-3-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-3251
(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(pyridin-3-yl)-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

4341-3251

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(pyridin-3-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(pyridin-3-yl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCCOc(ccc(/C=C1\Sc2nc(-c3cnccc3)nn2C1=O)c1)c1OC

InChI

InChI=1S/C21H20N4O3S/c1-3-4-10-28-16-8-7-14(11-17(16)27-2)12-18-20(26)25-21(29-18)23-19(24-25)15-6-5-9-22-13-15/h5-9,11-13H,3-4,10H2,1-2H3

InChI Key

RNZHJCYICFDFLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-3.72

Polar Surface Area

61.849

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 4341-3251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-3251?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-3251
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  • 2–4 weeks for large selections
Delivery formats for 4341-3251
  • 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 4341-3251 available by request