6672-0467 Screening compound: (5E)-2-[4-(pentyloxy)phenyl]-5-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0467 Screening compound: (5E)-2-[4-(pentyloxy)phenyl]-5-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0467 Screening compound: (5E)-2-[4-(pentyloxy)phenyl]-5-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6672-0467
(5E)-2-[4-(pentyloxy)phenyl]-5-{[2-(prop-2-en-1-yloxy)phenyl]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

6672-0467

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

(5E)-2-[4-(pentyloxy)phenyl]-5-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5E)-2-[4-(pentyloxy)phenyl]-5-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCCCOc(cc1)ccc1-c1nn(C(/C(/S2)=C\c(cccc3)c3OCC=C)=O)c2n1

InChI

InChI=1S/C25H25N3O3S/c1-3-5-8-16-30-20-13-11-18(12-14-20)23-26-25-28(27-23)24(29)22(32-25)17-19-9-6-7-10-21(19)31-15-4-2/h4,6-7,9-14,17H,2-3,5,8,15-16H2,1H3

InChI Key

PSWRSGABNMPEHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06308593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.156

Distribution Coefficient, logD

7.156

Water Solubility, LogSw

-5.77

Polar Surface Area

52.118

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 6672-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0467?
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What is the minimum amount of 6672-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0467
  • 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 6672-0467 available by request