6187-1603 Screening compound: (5Z)-2-(2-bromophenyl)-5-[(4-methylphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-1603 Screening compound: (5Z)-2-(2-bromophenyl)-5-[(4-methylphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-1603 Screening compound: (5Z)-2-(2-bromophenyl)-5-[(4-methylphenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1603
(5Z)-2-(2-bromophenyl)-5-[(4-methylphenyl)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

6187-1603

Molecular Formula

C18H12BrN3OS (C18 H12 BrN3 OS)

Compound Name

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

IUPAC name

(5Z)-2-(2-bromophenyl)-5-[(4-methylphenyl)methylidene]-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

Cc1ccc(/C=C2\Sc3nc(-c(cccc4)c4Br)nn3C2=O)cc1

InChI

InChI=1S/C18H12BrN3OS/c1-11-6-8-12(9-7-11)10-15-17(23)22-18(24-15)20-16(21-22)13-4-2-3-5-14(13)19/h2-10H,1H3

InChI Key

PVXIOLRRHRDSPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04025141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.63

Polar Surface Area

37.196

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 6187-1603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1603?
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What is the minimum amount of 6187-1603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1603
  • 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 6187-1603 available by request