5865-4175 Screening compound: (6Z)-6-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

5865-4175 Screening compound: (6Z)-6-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one
5865-4175 Screening compound: (6Z)-6-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5865-4175
(6Z)-6-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-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

5865-4175

Molecular Formula

C21H19N3O5S (C21 H19 N3 O5 S)

Compound Name

(6Z)-6-[(4-methoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

IUPAC name

(6Z)-6-[(4-methoxyphenyl)methylidene]-3-(345-trimethoxyphenyl)-5H6H-[124]triazolo[34-b][13]thiazol-5-one

SMILES

COc1ccc(/C=C2\Sc3nnc(-c(cc4OC)cc(OC)c4OC)n3C2=O)cc1

InChI

InChI=1S/C21H19N3O5S/c1-26-14-7-5-12(6-8-14)9-17-20(25)24-19(22-23-21(24)30-17)13-10-15(27-2)18(29-4)16(11-13)28-3/h5-11H,1-4H3

InChI Key

ZUJZDOJMHLGUPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08681974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.939

Distribution Coefficient, logD

2.939

Water Solubility, LogSw

-3.43

Polar Surface Area

68.466

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 5865-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5865-4175?
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What is the minimum amount of 5865-4175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5865-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5865-4175
  • 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 5865-4175 available by request