6672-0483 Screening compound: (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-2-[4-(hexyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0483 Screening compound: (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-2-[4-(hexyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0483 Screening compound: (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-2-[4-(hexyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6672-0483
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-2-[4-(hexyloxy)phenyl]-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

6672-0483

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-2-[4-(hexyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5E)-5-[(23-dimethoxyphenyl)methylidene]-2-[4-(hexyloxy)phenyl]-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCCCCOc(cc1)ccc1-c1nn(C(/C(/S2)=C\c(cccc3OC)c3OC)=O)c2n1

InChI

InChI=1S/C25H27N3O4S/c1-4-5-6-7-15-32-19-13-11-17(12-14-19)23-26-25-28(27-23)24(29)21(33-25)16-18-9-8-10-20(30-2)22(18)31-3/h8-14,16H,4-7,15H2,1-3H3

InChI Key

DUZHZQJPWPYNRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06308609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.498

Distribution Coefficient, logD

6.498

Water Solubility, LogSw

-5.63

Polar Surface Area

59.961

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 6672-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0483
  • 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 6672-0483 available by request