4341-3253 Screening compound: (5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-3-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

4341-3253 Screening compound: (5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-3-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
4341-3253 Screening compound: (5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-3-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-3253
(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-3-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

4341-3253

Molecular Formula

C24H18N4O3S (C24 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C1\Sc2nc(-c3cnccc3)nn2C1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C24H18N4O3S/c1-30-20-12-17(9-10-19(20)31-15-16-6-3-2-4-7-16)13-21-23(29)28-24(32-21)26-22(27-28)18-8-5-11-25-14-18/h2-14H,15H2,1H3

InChI Key

VMSUZCIDZOOGNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.750

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-3.86

Polar Surface Area

61.658

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4341-3253 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4341-3253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-3253?
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What is the minimum amount of 4341-3253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-3253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-3253
  • 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 4341-3253 available by request