6187-1575 Screening compound: (5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-1575 Screening compound: (5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-1575 Screening compound: (5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(4-fluorophenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1575
(5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(4-fluorophenyl)-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

6187-1575

Molecular Formula

C21H11BrFN3O2S (C21 H11 BrFN3 O2 S)

Compound Name

(5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(4-fluorophenyl)-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-(4-fluorophenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

O=C1n2nc(-c(cc3)ccc3F)nc2S/C1=C\c1ccc(-c2cccc(Br)c2)o1

InChI

InChI=1S/C21H11BrFN3O2S/c22-14-3-1-2-13(10-14)17-9-8-16(28-17)11-18-20(27)26-21(29-18)24-19(25-26)12-4-6-15(23)7-5-12/h1-11H

InChI Key

PGJWFSYHEHRFMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04034451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.187

Distribution Coefficient, logD

6.187

Water Solubility, LogSw

-6.24

Polar Surface Area

44.766

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 6187-1575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1575?
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What is the minimum amount of 6187-1575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1575
  • 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 6187-1575 available by request