6672-0072 Screening compound: (5Z)-5-[(3-bromophenyl)methylidene]-2-[4-(hexyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0072 Screening compound: (5Z)-5-[(3-bromophenyl)methylidene]-2-[4-(hexyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0072 Screening compound: (5Z)-5-[(3-bromophenyl)methylidene]-2-[4-(hexyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6672-0072
(5Z)-5-[(3-bromophenyl)methylidene]-2-[4-(hexyloxy)phenyl]-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

6672-0072

Molecular Formula

C23H22BrN3O2S (C23 H22 BrN3 O2 S)

Compound Name

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

IUPAC name

(5Z)-5-[(3-bromophenyl)methylidene]-2-[4-(hexyloxy)phenyl]-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCCCCOc(cc1)ccc1-c1nn(C(/C(/S2)=C/c3cccc(Br)c3)=O)c2n1

InChI

InChI=1S/C23H22BrN3O2S/c1-2-3-4-5-13-29-19-11-9-17(10-12-19)21-25-23-27(26-21)22(28)20(30-23)15-16-7-6-8-18(24)14-16/h6-12,14-15H,2-5,13H2,1H3

InChI Key

XWFIMFFOYTWLJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06308867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.352

Distribution Coefficient, logD

7.352

Water Solubility, LogSw

-5.64

Polar Surface Area

44.614

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 6672-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0072?
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What is the minimum amount of 6672-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0072
  • 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 6672-0072 available by request