5629-0891 Screening compound: (5Z)-2-(4-bromophenyl)-5-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5629-0891 Screening compound: (5Z)-2-(4-bromophenyl)-5-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5629-0891 Screening compound: (5Z)-2-(4-bromophenyl)-5-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0891
(5Z)-2-(4-bromophenyl)-5-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-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

5629-0891

Molecular Formula

C20H14BrN3O2S (C20 H14 BrN3 O2 S)

Compound Name

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

IUPAC name

(5Z)-2-(4-bromophenyl)-5-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

C=CCOc1c(/C=C2\Sc3nc(-c(cc4)ccc4Br)nn3C2=O)cccc1

InChI

InChI=1S/C20H14BrN3O2S/c1-2-11-26-16-6-4-3-5-14(16)12-17-19(25)24-20(27-17)22-18(23-24)13-7-9-15(21)10-8-13/h2-10,12H,1,11H2

InChI Key

ZZCPAUZYRMGCJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.007

Distribution Coefficient, logD

6.007

Water Solubility, LogSw

-6.12

Polar Surface Area

44.700

Acid Dissociation Constant (pKa)

33.22

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 5629-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0891?
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What is the minimum amount of 5629-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0891
  • 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 5629-0891 available by request