5629-0879 Screening compound: 2-[(5Z)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

5629-0879 Screening compound: 2-[(5Z)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate
5629-0879 Screening compound: 2-[(5Z)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]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 5629-0879
2-[(5Z)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]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

5629-0879

Molecular Formula

C23H19N3O5S (C23 H19 N3 O5 S)

Compound Name

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

IUPAC name

2-[(5Z)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-2-yl]phenyl acetate

SMILES

CC(Oc(cccc1)c1-c1nn(C(/C(/S2)=C/c(cc3)cc(OC)c3OCC=C)=O)c2n1)=O

InChI

InChI=1S/C23H19N3O5S/c1-4-11-30-18-10-9-15(12-19(18)29-3)13-20-22(28)26-23(32-20)24-21(25-26)16-7-5-6-8-17(16)31-14(2)27/h4-10,12-13H,1,11H2,2-3H3

InChI Key

FLZZMQIFJFXVDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-4.09

Polar Surface Area

73.168

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 5629-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0879?
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What is the minimum amount of 5629-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0879
  • 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 5629-0879 available by request