6672-0455 Screening compound: (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[4-(pentyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0455 Screening compound: (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[4-(pentyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0455 Screening compound: (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[4-(pentyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6672-0455
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[4-(pentyloxy)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

6672-0455

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

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

IUPAC name

(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[4-(pentyloxy)phenyl]-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCCCOc(cc1)ccc1-c1nn(C(/C(/S2)=C\c(cc3)cc(OC)c3OCC)=O)c2n1

InChI

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

InChI Key

DZGUXOTYUJDSTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06308581

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

6.018

Distribution Coefficient, logD

6.018

Water Solubility, LogSw

-5.29

Polar Surface Area

59.454

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 6672-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0455?
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What is the minimum amount of 6672-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0455
  • 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 6672-0455 available by request