5629-0755 Screening compound: 2-[(5Z)-5-[(4-ethylphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

5629-0755 Screening compound: 2-[(5Z)-5-[(4-ethylphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate
5629-0755 Screening compound: 2-[(5Z)-5-[(4-ethylphenyl)methylidene]-6-oxo-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 5629-0755
2-[(5Z)-5-[(4-ethylphenyl)methylidene]-6-oxo-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

5629-0755

Molecular Formula

C21H17N3O3S (C21 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(/C=C2\Sc3nc(-c(cccc4)c4OC(C)=O)nn3C2=O)cc1

InChI

InChI=1S/C21H17N3O3S/c1-3-14-8-10-15(11-9-14)12-18-20(26)24-21(28-18)22-19(23-24)16-6-4-5-7-17(16)27-13(2)25/h4-12H,3H2,1-2H3

InChI Key

AEXQRTBLWPBRCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

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

4.330

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.54

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

14.30

References: we are preparing a list of scientific research reports with 5629-0755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0755?
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What is the minimum amount of 5629-0755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0755
  • 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 5629-0755 available by request