5606-3347 Screening compound: (5Z)-5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5606-3347 Screening compound: (5Z)-5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5606-3347 Screening compound: (5Z)-5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5606-3347
(5Z)-5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-4-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

5606-3347

Molecular Formula

C24H26N4O3S (C24 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCOc(ccc(/C=C1\Sc2nc(-c3ccncc3)nn2C1=O)c1)c1OC

InChI

InChI=1S/C24H26N4O3S/c1-3-4-5-6-7-14-31-19-9-8-17(15-20(19)30-2)16-21-23(29)28-24(32-21)26-22(27-28)18-10-12-25-13-11-18/h8-13,15-16H,3-7,14H2,1-2H3

InChI Key

MYLAJPYJMOBILZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03663441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

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

5.478

Distribution Coefficient, logD

5.478

Water Solubility, LogSw

-5.20

Polar Surface Area

61.759

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5606-3347 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 5606-3347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5606-3347?
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What is the minimum amount of 5606-3347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5606-3347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5606-3347
  • 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 5606-3347 available by request