5629-0247 Screening compound: 2-[(5Z)-6-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

5629-0247 Screening compound: 2-[(5Z)-6-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate
5629-0247 Screening compound: 2-[(5Z)-6-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0247
2-[(5Z)-6-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

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

5629-0247

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

2-[(5Z)-6-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

IUPAC name

2-[(5Z)-6-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-5H6H-[124]triazolo[32-b][13]thiazol-2-yl]phenyl acetate

SMILES

CC(C)c1ccc(/C=C2\Sc3nc(-c(cccc4)c4OC(C)=O)nn3C2=O)cc1

InChI

InChI=1S/C22H19N3O3S/c1-13(2)16-10-8-15(9-11-16)12-19-21(27)25-22(29-19)23-20(24-25)17-6-4-5-7-18(17)28-14(3)26/h4-13H,1-3H3

InChI Key

SACQUOZXAPVKBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03532777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

4.737

Water Solubility, LogSw

-4.69

Polar Surface Area

58.034

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 5629-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0247?
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What is the minimum amount of 5629-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0247
  • 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 5629-0247 available by request