6672-0121 Screening compound: (5Z)-2-[4-(prop-2-en-1-yloxy)phenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0121 Screening compound: (5Z)-2-[4-(prop-2-en-1-yloxy)phenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0121 Screening compound: (5Z)-2-[4-(prop-2-en-1-yloxy)phenyl]-5-{[4-(propan-2-yl)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 6672-0121
(5Z)-2-[4-(prop-2-en-1-yloxy)phenyl]-5-{[4-(propan-2-yl)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

6672-0121

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(/C=C2\Sc3nc(-c(cc4)ccc4OCC=C)nn3C2=O)cc1

InChI

InChI=1S/C23H21N3O2S/c1-4-13-28-19-11-9-18(10-12-19)21-24-23-26(25-21)22(27)20(29-23)14-16-5-7-17(8-6-16)15(2)3/h4-12,14-15H,1,13H2,2-3H3

InChI Key

OIGZCOAKRUBYBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06308907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.963

Distribution Coefficient, logD

5.963

Water Solubility, LogSw

-5.61

Polar Surface Area

44.614

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 6672-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0121?
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What is the minimum amount of 6672-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0121
  • 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 6672-0121 available by request