6187-1574 Screening compound: (5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-1574 Screening compound: (5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-1574 Screening compound: (5Z)-5-{[5-(3-bromophenyl)furan-2-yl]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 6187-1574
(5Z)-5-{[5-(3-bromophenyl)furan-2-yl]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

6187-1574

Molecular Formula

C24H18BrN3O5S (C24 H18 BrN3 O5 S)

Compound Name

(5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(3,4,5-trimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(345-trimethoxyphenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

COc1cc(-c2nn(C(/C(/S3)=C/c4ccc(-c5cccc(Br)c5)o4)=O)c3n2)cc(OC)c1OC

InChI

InChI=1S/C24H18BrN3O5S/c1-30-18-10-14(11-19(31-2)21(18)32-3)22-26-24-28(27-22)23(29)20(34-24)12-16-7-8-17(33-16)13-5-4-6-15(25)9-13/h4-12H,1-3H3

InChI Key

WNDQWYQLGXGLKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04447850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.39

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

5.641

Distribution Coefficient, logD

5.641

Water Solubility, LogSw

-5.58

Polar Surface Area

67.744

Acid Dissociation Constant (pKa)

32.43

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 6187-1574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1574?
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What is the minimum amount of 6187-1574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1574
  • 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 6187-1574 available by request