6672-0466 Screening compound: (5E)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-[4-(pentyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0466 Screening compound: (5E)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-[4-(pentyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0466 Screening compound: (5E)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]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 6672-0466
(5E)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]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

6672-0466

Molecular Formula

C26H27N3O4S (C26 H27 N3 O4 S)

Compound Name

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

IUPAC name

(5E)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]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=C)=O)c2n1

InChI

InChI=1S/C26H27N3O4S/c1-4-6-7-15-32-20-11-9-19(10-12-20)24-27-26-29(28-24)25(30)23(34-26)17-18-8-13-21(33-14-5-2)22(16-18)31-3/h5,8-13,16-17H,2,4,6-7,14-15H2,1,3H3

InChI Key

MZQLQFKWBOZAAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06308592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.456

Distribution Coefficient, logD

6.456

Water Solubility, LogSw

-5.55

Polar Surface Area

59.748

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 6672-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0466?
Check Price and Availability of 6672-0466, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6672-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0466
  • 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 6672-0466 available by request