5629-1030 Screening compound: 2-[(5Z)-6-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

5629-1030 Screening compound: 2-[(5Z)-6-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate
5629-1030 Screening compound: 2-[(5Z)-6-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-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 5629-1030
2-[(5Z)-6-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-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

5629-1030

Molecular Formula

C21H15N3O3S (C21 H15 N3 O3 S)

Compound Name

2-[(5Z)-6-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

IUPAC name

2-[(5Z)-6-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-5H6H-[124]triazolo[32-b][13]thiazol-2-yl]phenyl acetate

SMILES

CC(Oc(cccc1)c1-c1nn(C(/C(/S2)=C/C=C/c3ccccc3)=O)c2n1)=O

InChI

InChI=1S/C21H15N3O3S/c1-14(25)27-17-12-6-5-11-16(17)19-22-21-24(23-19)20(26)18(28-21)13-7-10-15-8-3-2-4-9-15/h2-13H,1H3

InChI Key

WJMXIVZBZBHGCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

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

4.082

Distribution Coefficient, logD

4.082

Water Solubility, LogSw

-4.53

Polar Surface Area

58.034

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 5629-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-1030?
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What is the minimum amount of 5629-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-1030
  • 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 5629-1030 available by request