6187-1926 Screening compound: (5Z)-5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-1926 Screening compound: (5Z)-5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-1926 Screening compound: (5Z)-5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1926
(5Z)-5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3,4,5-trimethoxyphenyl)-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

6187-1926

Molecular Formula

C26H29N3O6S (C26 H29 N3 O6 S)

Compound Name

(5Z)-5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(345-trimethoxyphenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CC(C)CCOc(ccc(/C=C1\Sc2nc(-c(cc3OC)cc(OC)c3OC)nn2C1=O)c1)c1OC

InChI

InChI=1S/C26H29N3O6S/c1-15(2)9-10-35-18-8-7-16(11-19(18)31-3)12-22-25(30)29-26(36-22)27-24(28-29)17-13-20(32-4)23(34-6)21(14-17)33-5/h7-8,11-15H,9-10H2,1-6H3

InChI Key

ZBAYBTLSBHAJEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04021962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-4.59

Polar Surface Area

75.309

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with 6187-1926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1926?
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What is the minimum amount of 6187-1926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1926
  • 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 6187-1926 available by request